SIMILAR PATTERNS OF AMINO ACIDS FOR 1N13_J_AG2J7013_1

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 LEU A  68
ASP A  64
GLY A 217
ARG A 308
 None
 0.77A 1n13G-1agxA:
0.0
1n13J-1agxA:
0.0		 1n13G-1agxA:
12.68
1n13J-1agxA:
17.22
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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		4 LEU A 426
ASP A 550
GLY A 593
ARG A 534
 None
 0.91A 1n13G-1b25A:
0.0
1n13J-1b25A:
0.0		 1n13G-1b25A:
12.02
1n13J-1b25A:
13.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cpt CYTOCHROME P450-TERP

(Pseudomonas sp.) 		PF00067
(p450) 		4 LEU A 382
LEU A 170
GLY A 171
GLU A 386
 HEM  A 430 (-4.6A)
None
None
None
 0.86A 1n13G-1cptA:
0.0
1n13J-1cptA:
undetectable		 1n13G-1cptA:
9.62
1n13J-1cptA:
14.18
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 LEU A  31
ASP A  29
GLY A 299
GLU A  34
 None
 0.89A 1n13G-1d4eA:
0.0
1n13J-1d4eA:
0.0		 1n13G-1d4eA:
8.91
1n13J-1d4eA:
13.78
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.
1di4 LYSOZYME C

(Homo sapiens) 		PF00062
(Lys) 		4 LEU A   8
LEU A  15
GLY A  16
MET A  29
 None
 0.80A 1n13G-1di4A:
undetectable
1n13J-1di4A:
0.0		 1n13G-1di4A:
17.65
1n13J-1di4A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		5 LEU A 286
LEU A 325
GLY A 324
GLU A 187
ARG A 333
 None
None
None
NAD  A 400 (-3.4A)
None
 1.30A 1n13G-1dqsA:
undetectable
1n13J-1dqsA:
0.0		 1n13G-1dqsA:
11.59
1n13J-1dqsA:
16.53
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.
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 1n13G-1e6vA:
undetectable
1n13J-1e6vA:
0.5		 1n13G-1e6vA:
6.70
1n13J-1e6vA:
11.53
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 LEU 1 343
ASP 1 252
LEU 1 188
ARG 1 248
 None
 0.76A 1n13G-1gt91:
0.0
1n13J-1gt91:
0.0		 1n13G-1gt91:
9.86
1n13J-1gt91:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ktn 2-DEOXYRIBOSE-5-PHOS
PHATE ALDOLASE

(Escherichia
coli) 		PF01791
(DeoC) 		4 LEU A   4
LEU A 248
GLY A 249
GLU A 210
 None
 0.89A 1n13G-1ktnA:
0.0
1n13J-1ktnA:
0.0		 1n13G-1ktnA:
17.72
1n13J-1ktnA:
19.51
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		4 LEU A 377
LEU A 316
GLY A 313
GLU A  34
 None
 0.88A 1n13G-1lwhA:
0.0
1n13J-1lwhA:
undetectable		 1n13G-1lwhA:
9.70
1n13J-1lwhA:
13.44
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.
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 1n13G-1mroA:
undetectable
1n13J-1mroA:
undetectable		 1n13G-1mroA:
9.29
1n13J-1mroA:
10.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.14A 1n13G-1mt1A:
7.3
1n13J-1mt1A:
undetectable		 1n13G-1mt1A:
100.00
1n13J-1mt1A:
28.26
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
 0.20A 1n13G-1n2mA:
3.4
1n13J-1n2mA:
18.5		 1n13G-1n2mA:
100.00
1n13J-1n2mA:
67.88
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.
1ni5 PUTATIVE CELL CYCLE
PROTEIN MESJ

(Escherichia
coli) 		PF01171
(ATP_bind_3)
PF09179
(TilS)
PF11734
(TilS_C) 		4 LEU A 155
ASP A  24
LEU A  23
GLY A  22
 None
 0.91A 1n13G-1ni5A:
undetectable
1n13J-1ni5A:
undetectable		 1n13G-1ni5A:
7.41
1n13J-1ni5A:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
9 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF08992
(QH-AmDH_gamma)
no annotation 		4 LEU C  51
ASP C  39
LEU B 327
ARG B   9
 None
None
TRW  C  43 ( 4.2A)
None
 0.90A 1n13G-1pbyC:
undetectable
1n13J-1pbyC:
undetectable		 1n13G-1pbyC:
22.67
1n13J-1pbyC:
23.23
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.
1qor QUINONE
OXIDOREDUCTASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A  57
LEU A  92
GLY A  93
ARG A   4
 None
 0.67A 1n13G-1qorA:
undetectable
1n13J-1qorA:
undetectable		 1n13G-1qorA:
13.96
1n13J-1qorA:
17.93
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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		4 LEU A 532
ASP A 441
LEU A 377
ARG A 437
 None
 0.84A 1n13G-1t1eA:
undetectable
1n13J-1t1eA:
undetectable		 1n13G-1t1eA:
7.32
1n13J-1t1eA:
10.26
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.
1ub3 ALDOLASE PROTEIN

(Thermus
thermophilus) 		PF01791
(DeoC) 		4 LEU A 169
ASP A 165
GLY A 160
ARG A 159
 None
 0.92A 1n13G-1ub3A:
undetectable
1n13J-1ub3A:
undetectable		 1n13G-1ub3A:
14.08
1n13J-1ub3A:
18.67
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.
1wch PROTEIN TYROSINE
PHOSPHATASE,
NON-RECEPTOR TYPE 13

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 ASP A2422
LEU A2425
GLY A2426
MET A2395
 None
 0.89A 1n13G-1wchA:
undetectable
1n13J-1wchA:
undetectable		 1n13G-1wchA:
12.73
1n13J-1wchA:
15.24
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.
1y88 HYPOTHETICAL PROTEIN
AF1548

(Archaeoglobus
fulgidus) 		PF04471
(Mrr_cat) 		4 ASP A 153
LEU A 148
GLY A 147
ARG A  13
 None
 0.88A 1n13G-1y88A:
undetectable
1n13J-1y88A:
undetectable		 1n13G-1y88A:
15.58
1n13J-1y88A:
19.49
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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 LEU A 288
GLY A 392
GLU A 292
ARG A 338
 None
 0.90A 1n13G-2dc0A:
undetectable
1n13J-2dc0A:
undetectable		 1n13G-2dc0A:
8.76
1n13J-2dc0A:
13.72
Potential target for repurposing, i.e. matched protein structure has less than 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 ASP A 218
LEU A 217
GLY A 202
ARG A 191
 None
 0.86A 1n13G-2djzA:
undetectable
1n13J-2djzA:
0.6		 1n13G-2djzA:
12.34
1n13J-2djzA:
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 LEU A 441
ASP A 442
GLY A 353
ARG A 414
 NAD  A5555 (-4.5A)
None
None
None
 0.64A 1n13G-2fknA:
undetectable
1n13J-2fknA:
undetectable		 1n13G-2fknA:
7.85
1n13J-2fknA:
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.
2g42 HYPOTHETICAL PROTEIN
TM_0693

(Thermotoga
maritima) 		no annotation 4 LEU A  52
ASP A  48
LEU A  45
ARG A  29
 None
 0.84A 1n13G-2g42A:
undetectable
1n13J-2g42A:
undetectable		 1n13G-2g42A:
24.32
1n13J-2g42A:
23.89
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.
2ivy HYPOTHETICAL PROTEIN
SSO1404

(Sulfolobus
solfataricus) 		PF09827
(CRISPR_Cas2) 		4 ASP A  30
LEU A  29
GLY A  28
GLU A  77
 None
 0.87A 1n13G-2ivyA:
undetectable
1n13J-2ivyA:
undetectable		 1n13G-2ivyA:
22.99
1n13J-2ivyA:
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.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 LEU A 467
ASP A 466
LEU A 289
ARG A 297
 None
 0.90A 1n13G-2jgpA:
undetectable
1n13J-2jgpA:
1.1		 1n13G-2jgpA:
8.52
1n13J-2jgpA:
11.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjz IONIZED
CALCIUM-BINDING
ADAPTER MOLECULE 2

(Homo sapiens) 		no annotation 4 LEU B  72
LEU B  79
GLY B  80
MET B  88
 None
 0.87A 1n13G-2jjzB:
undetectable
1n13J-2jjzB:
undetectable		 1n13G-2jjzB:
23.66
1n13J-2jjzB:
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.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		4 LEU A 267
ASP A  60
GLY A  57
ARG A  38
 None
 0.93A 1n13G-2o1xA:
undetectable
1n13J-2o1xA:
undetectable		 1n13G-2o1xA:
7.48
1n13J-2o1xA:
11.70
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.
2ong 4S-LIMONENE SYNTHASE

(Mentha spicata) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 LEU A 282
ASP A 283
LEU A 121
GLY A 120
ARG A 332
 None
 1.46A 1n13G-2ongA:
undetectable
1n13J-2ongA:
undetectable		 1n13G-2ongA:
10.05
1n13J-2ongA:
10.58
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.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		4 LEU A 284
ASP A 280
LEU A 276
ARG A 132
 None
 0.69A 1n13G-2pbgA:
undetectable
1n13J-2pbgA:
undetectable		 1n13G-2pbgA:
8.62
1n13J-2pbgA:
13.23
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.
2q4x SEED MATURATION
PROTEIN PM36 HOMOLOG

(Arabidopsis
thaliana) 		PF03070
(TENA_THI-4) 		4 ASP A  74
GLY A  70
MET A 133
ARG A 186
 None
 0.86A 1n13G-2q4xA:
undetectable
1n13J-2q4xA:
undetectable		 1n13G-2q4xA:
12.44
1n13J-2q4xA:
17.13
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.
2rfb CYTOCHROME P450

(Picrophilus
torridus) 		PF00067
(p450) 		4 LEU A 309
LEU A 120
GLY A 121
GLU A 313
 HEM  A 410 ( 4.5A)
None
None
None
 0.92A 1n13G-2rfbA:
undetectable
1n13J-2rfbA:
undetectable		 1n13G-2rfbA:
11.66
1n13J-2rfbA:
14.75
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.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 LEU A 445
ASP A 446
GLY A 357
ARG A 418
 NAD  A3001 (-4.1A)
None
None
None
 0.57A 1n13G-2v7gA:
undetectable
1n13J-2v7gA:
undetectable		 1n13G-2v7gA:
7.71
1n13J-2v7gA:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vqa SLL1358 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00190
(Cupin_1) 		4 LEU A 161
LEU A  92
GLY A 151
GLU A 108
 None
None
None
MN  A1005 (-2.5A)
 0.76A 1n13G-2vqaA:
undetectable
1n13J-2vqaA:
undetectable		 1n13G-2vqaA:
11.14
1n13J-2vqaA:
13.47
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 LEU A  40
ASP A  36
LEU A  33
ARG A 404
 None
 0.78A 1n13G-2ynkA:
undetectable
1n13J-2ynkA:
undetectable		 1n13G-2ynkA:
7.69
1n13J-2ynkA:
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.
3a1y ACIDIC RIBOSOMAL
PROTEIN P0

(Pyrococcus
horikoshii) 		PF00466
(Ribosomal_L10) 		4 LEU G 192
ASP G 190
LEU G 189
GLY G 188
 None
 0.93A 1n13G-3a1yG:
undetectable
1n13J-3a1yG:
undetectable		 1n13G-3a1yG:
11.74
1n13J-3a1yG:
17.44
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.
3b13 DEDICATOR OF
CYTOKINESIS PROTEIN
2

(Homo sapiens) 		PF06920
(DHR-2) 		4 LEU A1530
LEU A1580
GLY A1581
MET A1512
 None
 0.93A 1n13G-3b13A:
undetectable
1n13J-3b13A:
undetectable		 1n13G-3b13A:
8.06
1n13J-3b13A:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		4 LEU A  43
ASP A  44
LEU A  53
GLY A  50
 None
 0.83A 1n13G-3bxoA:
undetectable
1n13J-3bxoA:
undetectable		 1n13G-3bxoA:
14.10
1n13J-3bxoA:
15.56
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.
3d9w PUTATIVE
ACETYLTRANSFERASE

(Nocardia
farcinica) 		PF00797
(Acetyltransf_2) 		5 LEU A  54
ASP A 275
LEU A 276
GLY A 273
GLU A  52
 None
 1.31A 1n13G-3d9wA:
undetectable
1n13J-3d9wA:
undetectable		 1n13G-3d9wA:
10.03
1n13J-3d9wA:
15.86
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		4 LEU A 287
ASP A 288
LEU A 297
GLY A 294
 None
 0.82A 1n13G-3dliA:
undetectable
1n13J-3dliA:
undetectable		 1n13G-3dliA:
10.86
1n13J-3dliA:
20.09
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.
3dpi NAD+ SYNTHETASE

(Burkholderia
pseudomallei) 		PF02540
(NAD_synthase) 		4 ASP A 139
LEU A 142
GLY A 143
ARG A 226
 None
 0.77A 1n13G-3dpiA:
undetectable
1n13J-3dpiA:
undetectable		 1n13G-3dpiA:
10.56
1n13J-3dpiA:
17.50
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.
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
 0.81A 1n13G-3e8sA:
undetectable
1n13J-3e8sA:
undetectable		 1n13G-3e8sA:
12.15
1n13J-3e8sA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j8f POLIOVIRUS RECEPTOR

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 LEU 7  92
LEU 7 139
GLY 7 119
MET 7  75
GLU 7  88
 None
None
NAG  7 504 ( 3.9A)
None
None
 1.42A 1n13G-3j8f7:
undetectable
1n13J-3j8f7:
undetectable		 1n13G-3j8f7:
10.05
1n13J-3j8f7:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 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 LEU A 140
GLY A  94
GLU A  40
ARG A 150
 5SP  A 500 ( 4.8A)
None
5SP  A 500 (-3.9A)
5SP  A 500 (-2.8A)
 0.80A 1n13G-3lquA:
undetectable
1n13J-3lquA:
undetectable		 1n13G-3lquA:
13.36
1n13J-3lquA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m05 UNCHARACTERIZED
PROTEIN PEPE_1480

(Pediococcus
pentosaceus) 		PF06153
(CdAMP_rec) 		4 LEU A  18
ASP A  14
GLY A  96
ARG A  69
 None
 0.86A 1n13G-3m05A:
undetectable
1n13J-3m05A:
undetectable		 1n13G-3m05A:
17.24
1n13J-3m05A:
19.67
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.
3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)

(Rhodobacter
sphaeroides) 		PF00588
(SpoU_methylase) 		5 LEU A 129
ASP A 126
LEU A 122
GLY A 116
ARG A  11
 None
None
None
ACY  A 250 (-4.5A)
None
 1.40A 1n13G-3onpA:
undetectable
1n13J-3onpA:
undetectable		 1n13G-3onpA:
12.18
1n13J-3onpA:
19.68
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.
3pg5 UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF13614
(AAA_31) 		4 LEU A 349
ASP A 177
GLY A 175
ARG A 233
 None
 0.91A 1n13G-3pg5A:
undetectable
1n13J-3pg5A:
undetectable		 1n13G-3pg5A:
11.35
1n13J-3pg5A:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rgu FIMBRIAE-ASSOCIATED
PROTEIN FAP1

(Streptococcus
parasanguinis) 		no annotation 4 LEU A 194
LEU A 201
GLY A 202
MET A 133
 None
 0.92A 1n13G-3rguA:
undetectable
1n13J-3rguA:
undetectable		 1n13G-3rguA:
18.94
1n13J-3rguA:
18.94
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.
3sql GLYCOSYL HYDROLASE
FAMILY 3

(Synechococcus
sp. PCC 7002) 		PF00933
(Glyco_hydro_3) 		4 ASP A 303
LEU A 273
GLY A 272
ARG A 265
 None
None
SO4  A 543 ( 3.8A)
None
 0.80A 1n13G-3sqlA:
undetectable
1n13J-3sqlA:
undetectable		 1n13G-3sqlA:
7.61
1n13J-3sqlA:
12.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 LEU A  23
ASP A 289
GLY A 256
ARG A 248
 None
 0.94A 1n13G-3u4aA:
undetectable
1n13J-3u4aA:
undetectable		 1n13G-3u4aA:
5.93
1n13J-3u4aA:
7.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ud2 ANKYRIN-1

(Homo sapiens) 		no annotation 4 LEU C1069
ASP C1003
GLU C 968
ARG C1210
 None
 0.90A 1n13G-3ud2C:
undetectable
1n13J-3ud2C:
undetectable		 1n13G-3ud2C:
9.82
1n13J-3ud2C:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ulz BRASSINOSTEROID
INSENSITIVE
1-ASSOCIATED
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		4 LEU A 423
GLY A 433
MET A 481
GLU A 484
 None
 0.85A 1n13G-3ulzA:
undetectable
1n13J-3ulzA:
undetectable		 1n13G-3ulzA:
10.67
1n13J-3ulzA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 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 LEU A  33
ASP A 128
GLY A 126
ARG A  28
 None
 0.60A 1n13G-4a29A:
undetectable
1n13J-4a29A:
undetectable		 1n13G-4a29A:
15.02
1n13J-4a29A:
19.51
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		4 LEU A  35
GLY A 170
GLU A  12
ARG A 172
 None
 0.76A 1n13G-4a9aA:
undetectable
1n13J-4a9aA:
undetectable		 1n13G-4a9aA:
11.49
1n13J-4a9aA:
14.81
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		4 LEU A 148
ASP A 150
LEU A 151
GLY A 152
 None
 0.93A 1n13G-4aeeA:
undetectable
1n13J-4aeeA:
undetectable		 1n13G-4aeeA:
6.89
1n13J-4aeeA:
9.05
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.
4cd8 ENDO-BETA-1,4-MANNAN
ASE

(Alicyclobacillus
acidocaldarius) 		no annotation 4 ASP A 196
LEU A 176
GLY A 175
ARG A 170
 None
 0.77A 1n13G-4cd8A:
undetectable
1n13J-4cd8A:
undetectable		 1n13G-4cd8A:
9.06
1n13J-4cd8A:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4exq UROPORPHYRINOGEN
DECARBOXYLASE

(Burkholderia
thailandensis) 		PF01208
(URO-D) 		4 LEU A  14
ASP A 271
GLY A 269
ARG A 242
 None
 0.91A 1n13G-4exqA:
undetectable
1n13J-4exqA:
undetectable		 1n13G-4exqA:
10.71
1n13J-4exqA:
15.20
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.
4h32 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 LEU A 174
LEU A  66
GLY A  63
MET A 109
 None
 0.93A 1n13G-4h32A:
undetectable
1n13J-4h32A:
undetectable		 1n13G-4h32A:
11.81
1n13J-4h32A:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4is7 CASKIN-2

(Homo sapiens) 		PF00536
(SAM_1) 		4 ASP A 125
LEU A 122
GLY A 121
ARG A 156
 None
 0.86A 1n13G-4is7A:
undetectable
1n13J-4is7A:
undetectable		 1n13G-4is7A:
17.65
1n13J-4is7A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o1j CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		4 LEU A 154
LEU A 195
GLY A 196
GLU A 137
 None
 0.89A 1n13G-4o1jA:
undetectable
1n13J-4o1jA:
undetectable		 1n13G-4o1jA:
13.64
1n13J-4o1jA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oaq R-SPECIFIC CARBONYL
REDUCTASE

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A  55
ASP A  51
LEU A  47
GLY A  46
 None
 0.78A 1n13G-4oaqA:
undetectable
1n13J-4oaqA:
undetectable		 1n13G-4oaqA:
9.79
1n13J-4oaqA:
13.90
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.
4oqr CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		4 LEU A 353
LEU A 162
GLY A 163
GLU A 357
 None
None
None
HEM  A 501 ( 4.9A)
 0.89A 1n13G-4oqrA:
undetectable
1n13J-4oqrA:
undetectable		 1n13G-4oqrA:
8.78
1n13J-4oqrA:
14.88
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.
4per RIBONUCLEASE
INHIBITOR

(Gallus gallus) 		PF13516
(LRR_6) 		4 LEU A 398
LEU A 405
GLY A 409
MET A 389
 None
 0.90A 1n13G-4perA:
undetectable
1n13J-4perA:
undetectable		 1n13G-4perA:
8.99
1n13J-4perA:
13.22
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.
4u1c EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF05470
(eIF-3c_N) 		4 LEU C 429
LEU C 486
GLY C 485
GLU C 416
 None
 0.81A 1n13G-4u1cC:
undetectable
1n13J-4u1cC:
undetectable		 1n13G-4u1cC:
6.56
1n13J-4u1cC:
11.19
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.
4uer EIF3C

(Lachancea
kluyveri) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2) 		4 LEU c 429
LEU c 486
GLY c 485
GLU c 416
 None
 0.81A 1n13G-4uerc:
undetectable
1n13J-4uerc:
undetectable		 1n13G-4uerc:
6.41
1n13J-4uerc:
8.26
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		4 LEU A 269
ASP A 272
LEU A 318
ARG A 328
 None
 0.89A 1n13G-4umvA:
undetectable
1n13J-4umvA:
undetectable		 1n13G-4umvA:
4.92
1n13J-4umvA:
8.95
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.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		4 LEU A 622
LEU A 597
GLY A 554
MET A 773
 None
 0.89A 1n13G-4v1uA:
0.0
1n13J-4v1uA:
0.5		 1n13G-4v1uA:
5.91
1n13J-4v1uA:
9.16
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.
4wpz CYTOCHROME P450

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 LEU A 358
LEU A 157
GLY A 158
GLU A 362
 None
None
None
HEM  A 503 ( 4.5A)
 0.91A 1n13G-4wpzA:
undetectable
1n13J-4wpzA:
undetectable		 1n13G-4wpzA:
9.69
1n13J-4wpzA:
15.27
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.
4xdi CHLAMYDOMONAS
REINHARDTII THB1

(Chlamydomonas
reinhardtii) 		PF01152
(Bac_globin) 		4 LEU A  98
LEU A 105
GLY A 106
MET A 116
 None
 0.81A 1n13G-4xdiA:
undetectable
1n13J-4xdiA:
undetectable		 1n13G-4xdiA:
18.52
1n13J-4xdiA:
22.30
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.
4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF03734
(YkuD) 		4 LEU A 184
ASP A 188
LEU A 191
GLY A 193
 None
 0.50A 1n13G-4y4vA:
undetectable
1n13J-4y4vA:
undetectable		 1n13G-4y4vA:
9.14
1n13J-4y4vA:
14.41
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.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 LEU A 557
LEU A 496
GLY A 497
GLU A 392
 None
 0.91A 1n13G-4y9lA:
undetectable
1n13J-4y9lA:
undetectable		 1n13G-4y9lA:
7.96
1n13J-4y9lA:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ycz FUSION PROTEIN OF
SEC13 AND NUP145C

(Thermothelomyces
thermophila) 		PF00400
(WD40)
PF12110
(Nup96) 		4 LEU A1731
ASP A1725
LEU A1724
GLY A1723
 None
 0.77A 1n13G-4yczA:
undetectable
1n13J-4yczA:
undetectable		 1n13G-4yczA:
4.82
1n13J-4yczA:
8.23
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.
4yf1 LMO0812 PROTEIN

(Listeria
monocytogenes) 		PF13328
(HD_4) 		4 LEU A 115
ASP A 116
GLY A  22
GLU A 169
 None
 0.88A 1n13G-4yf1A:
undetectable
1n13J-4yf1A:
undetectable		 1n13G-4yf1A:
13.90
1n13J-4yf1A:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		5 LEU A  70
ASP A 339
LEU A 308
GLY A 307
ARG A 296
 None
 0.92A 1n13G-4yyfA:
undetectable
1n13J-4yyfA:
undetectable		 1n13G-4yyfA:
9.12
1n13J-4yyfA:
13.61
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.
4z5q CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		4 LEU A 357
LEU A 157
GLY A 158
GLU A 361
 HEM  A 401 (-4.6A)
None
None
HEM  A 401 ( 4.8A)
 0.91A 1n13G-4z5qA:
undetectable
1n13J-4z5qA:
undetectable		 1n13G-4z5qA:
8.17
1n13J-4z5qA:
14.42
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		4 LEU A  16
ASP A 294
GLY A 263
ARG A 256
 None
 0.83A 1n13G-4zm6A:
undetectable
1n13J-4zm6A:
undetectable		 1n13G-4zm6A:
5.34
1n13J-4zm6A:
9.20
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 LEU A 536
ASP A  88
LEU A  89
GLY A  86
 None
 0.82A 1n13G-5a8rA:
undetectable
1n13J-5a8rA:
undetectable		 1n13G-5a8rA:
8.49
1n13J-5a8rA:
12.84
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.
5bu9 BETA-N-ACETYLHEXOSAM
INIDASE

(Beutenbergia
cavernae) 		PF00933
(Glyco_hydro_3) 		4 LEU A  82
ASP A 362
GLY A 331
ARG A 324
 None
 0.82A 1n13G-5bu9A:
undetectable
1n13J-5bu9A:
undetectable		 1n13G-5bu9A:
15.25
1n13J-5bu9A:
16.62
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.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		4 LEU A 125
ASP A 171
GLY A 169
GLU A 188
 None
 0.88A 1n13G-5ce8A:
undetectable
1n13J-5ce8A:
undetectable		 1n13G-5ce8A:
10.96
1n13J-5ce8A:
19.33
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.
5cm9 RAL GUANINE
NUCLEOTIDE
DISSOCIATION
STIMULATOR-LIKE 2

(Mus musculus) 		PF00617
(RasGEF)
PF00618
(RasGEF_N) 		4 ASP A 139
LEU A 136
GLY A 135
ARG A 184
 None
 0.91A 1n13G-5cm9A:
undetectable
1n13J-5cm9A:
undetectable		 1n13G-5cm9A:
6.87
1n13J-5cm9A:
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.
5dlb CHAPERONE ESPG3

(Mycobacterium
marinum) 		PF14011
(ESX-1_EspG) 		4 ASP A 191
GLY A 194
GLU A 184
ARG A 200
 None
None
None
SO4  A 304 ( 4.6A)
 0.93A 1n13G-5dlbA:
undetectable
1n13J-5dlbA:
undetectable		 1n13G-5dlbA:
11.41
1n13J-5dlbA:
14.95
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.
5foi MYCINAMICIN VIII C21
METHYL HYDROXYLASE

(Micromonospora
griseorubida) 		PF00067
(p450) 		4 LEU A 342
LEU A 147
GLY A 148
GLU A 346
 HEM  A 413 ( 4.9A)
None
None
HEM  A 413 ( 4.5A)
 0.92A 1n13G-5foiA:
undetectable
1n13J-5foiA:
undetectable		 1n13G-5foiA:
8.33
1n13J-5foiA:
13.94
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.
5ftf TPR DOMAIN PROTEIN

(Bacteroides sp.
3_1_23) 		PF05970
(PIF1) 		4 LEU A 115
ASP A 119
LEU A 122
GLY A 133
 None
 0.85A 1n13G-5ftfA:
undetectable
1n13J-5ftfA:
undetectable		 1n13G-5ftfA:
7.62
1n13J-5ftfA:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		4 LEU A 681
ASP A 678
LEU A 674
ARG A 737
 None
 0.83A 1n13G-5gl7A:
undetectable
1n13J-5gl7A:
undetectable		 1n13G-5gl7A:
8.70
1n13J-5gl7A:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h2f CYTOCHROME B559
SUBUNIT ALPHA

(Thermosynechococcus
elongatus) 		PF00283
(Cytochrom_B559)
PF00284
(Cytochrom_B559a) 		4 ASP E  45
LEU E  42
GLY E  41
ARG E  51
 None
 0.61A 1n13G-5h2fE:
undetectable
1n13J-5h2fE:
undetectable		 1n13G-5h2fE:
14.63
1n13J-5h2fE:
23.28
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.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		4 LEU A 216
ASP A 212
LEU A 209
ARG A 280
 None
 0.78A 1n13G-5h3oA:
undetectable
1n13J-5h3oA:
undetectable		 1n13G-5h3oA:
5.75
1n13J-5h3oA:
8.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iob BETA-GLUCOSIDASE-REL
ATED GLYCOSIDASES

(Corynebacterium
glutamicum) 		PF00933
(Glyco_hydro_3) 		4 LEU A  76
ASP A 346
GLY A 314
ARG A 302
 None
 0.79A 1n13G-5iobA:
undetectable
1n13J-5iobA:
undetectable		 1n13G-5iobA:
10.45
1n13J-5iobA:
14.04
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECD
PROTEIN TRANSLOCASE
SUBUNIT SECF

(Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG)
PF13721
(SecD-TM1) 		4 LEU F  50
ASP F  51
GLY D 573
GLU F 132
 None
 0.83A 1n13G-5mg3F:
undetectable
1n13J-5mg3F:
undetectable		 1n13G-5mg3F:
12.06
1n13J-5mg3F:
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.
5mju EXCITATORY AMINO
ACID TRANSPORTER
1,NEUTRAL AMINO ACID
TRANSPORTER
B(0),EXCITATORY
AMINO ACID
TRANSPORTER 1

(Homo sapiens) 		PF00375
(SDF) 		4 ASP A 452
GLY A 427
GLU A 283
ARG A 459
 None
7O9  A 602 (-3.7A)
None
7O9  A 602 (-4.0A)
 0.91A 1n13G-5mjuA:
undetectable
1n13J-5mjuA:
undetectable		 1n13G-5mjuA:
8.30
1n13J-5mjuA:
12.65
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.
5ofq CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		4 LEU A 356
LEU A 150
GLY A 151
GLU A 360
 HEM  A 501 ( 4.8A)
None
None
None
 0.88A 1n13G-5ofqA:
undetectable
1n13J-5ofqA:
undetectable		 1n13G-5ofqA:
11.46
1n13J-5ofqA:
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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 LEU A  51
ASP A 320
GLY A 287
ARG A 280
 None
 0.81A 1n13G-5tf0A:
undetectable
1n13J-5tf0A:
undetectable		 1n13G-5tf0A:
6.25
1n13J-5tf0A:
9.31
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.
5tv1 BETA-ARRESTIN-2

(Bos taurus) 		no annotation 4 ASP A  70
LEU A  69
GLY A  65
ARG A  63
 None
 0.81A 1n13G-5tv1A:
undetectable
1n13J-5tv1A:
undetectable		 1n13G-5tv1A:
10.59
1n13J-5tv1A:
17.41
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.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		4 LEU A  30
LEU A  37
GLY A  38
GLU A 112
 GBF  A1011 (-3.9A)
GBF  A1008 ( 3.2A)
None
GBF  A1010 (-3.4A)
 0.90A 1n13G-5v8kA:
undetectable
1n13J-5v8kA:
undetectable		 1n13G-5v8kA:
6.42
1n13J-5v8kA:
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.
5xko CYTIDINE/DEOXYCYTIDY
LATE DEAMINASE,
ZINC-BINDING REGION

(Mycolicibacterium
smegmatis) 		PF00383
(dCMP_cyt_deam_1) 		4 LEU A   8
ASP A   7
GLU A 144
ARG A 100
 None
 0.85A 1n13G-5xkoA:
undetectable
1n13J-5xkoA:
undetectable		 1n13G-5xkoA:
13.55
1n13J-5xkoA:
16.88
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.
5xnl CYTOCHROME B559
SUBUNIT ALPHA

(Pisum sativum) 		PF00283
(Cytochrom_B559)
PF00284
(Cytochrom_B559a) 		4 ASP E  45
LEU E  42
GLY E  41
ARG E  51
 None
 0.74A 1n13G-5xnlE:
undetectable
1n13J-5xnlE:
undetectable		 1n13G-5xnlE:
22.22
1n13J-5xnlE:
19.81
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 LEU A  49
ASP A 314
GLY A 281
ARG A 274
 None
 0.90A 1n13G-5xxoA:
undetectable
1n13J-5xxoA:
undetectable		 1n13G-5xxoA:
27.38
1n13J-5xxoA:
19.83
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.
5yll BETA-1,4-MANNANASE

(Amphibacillus
xylanus) 		no annotation 4 ASP B 188
LEU B 168
GLY B 167
ARG B 162
 None
 0.83A 1n13G-5yllB:
0.0
1n13J-5yllB:
undetectable		 1n13G-5yllB:
23.38
1n13J-5yllB:
17.59
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.
5z9x SMALL RNA DEGRADING
NUCLEASE 1

(Arabidopsis
thaliana) 		no annotation 4 LEU A 232
ASP A 228
LEU A 225
GLY A 222
 None
MG  A 502 (-3.5A)
None
None
 0.91A 1n13G-5z9xA:
undetectable
1n13J-5z9xA:
undetectable		 1n13G-5z9xA:
19.51
1n13J-5z9xA:
15.93
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.
6bn1 SCAFFOLD PROTEIN
SALVADOR
SERINE/THREONINE-PRO
TEIN KINASE HIPPO

(Drosophila
melanogaster) 		no annotation 4 LEU B 563
ASP B 567
LEU B 570
MET A 650
 None
 0.86A 1n13G-6bn1B:
undetectable
1n13J-6bn1B:
undetectable		 1n13G-6bn1B:
22.08
1n13J-6bn1B:
25.69
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.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 4 LEU A  50
ASP A  46
LEU A  42
GLY A  41
 None
 0.74A 1n13G-6c49A:
undetectable
1n13J-6c49A:
undetectable		 1n13G-6c49A:
23.53
1n13J-6c49A:
22.45