SIMILAR PATTERNS OF AMINO ACIDS FOR 1N13_H_AG2H7012_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 ARG A 308
LEU A  68
ASP A  64
GLY A 217
 None
 0.78A 1n13H-1agxA:
0.0
1n13K-1agxA:
0.0		 1n13H-1agxA:
17.22
1n13K-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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		4 ARG A 534
LEU A 426
ASP A 550
GLY A 593
 None
 0.91A 1n13H-1b25A:
0.0
1n13K-1b25A:
0.0		 1n13H-1b25A:
13.14
1n13K-1b25A:
12.02
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.
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
 0.82A 1n13H-1cptA:
undetectable
1n13K-1cptA:
undetectable		 1n13H-1cptA:
14.18
1n13K-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.
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
 0.91A 1n13H-1d4eA:
0.0
1n13K-1d4eA:
0.0		 1n13H-1d4eA:
13.78
1n13K-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.
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 1n13H-1dqsA:
0.0
1n13K-1dqsA:
undetectable		 1n13H-1dqsA:
16.53
1n13K-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 1n13H-1e6vA:
0.4
1n13K-1e6vA:
undetectable		 1n13H-1e6vA:
11.53
1n13K-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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 ARG 1 248
LEU 1 343
ASP 1 252
LEU 1 188
 None
 0.79A 1n13H-1gt91:
0.0
1n13K-1gt91:
0.0		 1n13H-1gt91:
13.55
1n13K-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.
1ktn 2-DEOXYRIBOSE-5-PHOS
PHATE ALDOLASE

(Escherichia
coli) 		PF01791
(DeoC) 		4 GLU A 210
LEU A   4
LEU A 248
GLY A 249
 None
 0.93A 1n13H-1ktnA:
0.0
1n13K-1ktnA:
0.0		 1n13H-1ktnA:
19.51
1n13K-1ktnA:
17.72
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.
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
 0.84A 1n13H-1lwhA:
0.0
1n13K-1lwhA:
0.0		 1n13H-1lwhA:
13.44
1n13K-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.
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
 0.80A 1n13H-1mroA:
undetectable
1n13K-1mroA:
undetectable		 1n13H-1mroA:
10.79
1n13K-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)
 0.13A 1n13H-1mt1A:
undetectable
1n13K-1mt1A:
7.0		 1n13H-1mt1A:
28.26
1n13K-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
 0.24A 1n13H-1n2mA:
18.3
1n13K-1n2mA:
3.3		 1n13H-1n2mA:
67.88
1n13K-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.
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
 0.92A 1n13H-1ni5A:
undetectable
1n13K-1ni5A:
undetectable		 1n13H-1ni5A:
11.63
1n13K-1ni5A:
7.41
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
9 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF08992
(QH-AmDH_gamma)
no annotation 		4 ARG B   9
LEU C  51
ASP C  39
LEU B 327
 None
None
None
TRW  C  43 ( 4.2A)
 0.91A 1n13H-1pbyB:
undetectable
1n13K-1pbyB:
undetectable		 1n13H-1pbyB:
19.05
1n13K-1pbyB:
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.
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
 0.64A 1n13H-1qorA:
undetectable
1n13K-1qorA:
undetectable		 1n13H-1qorA:
17.93
1n13K-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.
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
 0.86A 1n13H-1t1eA:
undetectable
1n13K-1t1eA:
undetectable		 1n13H-1t1eA:
10.26
1n13K-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.
1ub3 ALDOLASE PROTEIN

(Thermus
thermophilus) 		PF01791
(DeoC) 		4 ARG A 159
LEU A 169
ASP A 165
GLY A 160
 None
 0.92A 1n13H-1ub3A:
undetectable
1n13K-1ub3A:
undetectable		 1n13H-1ub3A:
18.67
1n13K-1ub3A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ue8 367AA LONG
HYPOTHETICAL
CYTOCHROME P450

(Sulfurisphaera
tokodaii) 		PF00067
(p450) 		4 GLU A 326
LEU A 322
LEU A 131
GLY A 132
 None
HEM  A 410 ( 4.9A)
None
None
 0.92A 1n13H-1ue8A:
undetectable
1n13K-1ue8A:
undetectable		 1n13H-1ue8A:
16.99
1n13K-1ue8A:
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.
1y88 HYPOTHETICAL PROTEIN
AF1548

(Archaeoglobus
fulgidus) 		PF04471
(Mrr_cat) 		4 ARG A  13
ASP A 153
LEU A 148
GLY A 147
 None
 0.89A 1n13H-1y88A:
undetectable
1n13K-1y88A:
undetectable		 1n13H-1y88A:
19.49
1n13K-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
 0.90A 1n13H-2dc0A:
undetectable
1n13K-2dc0A:
undetectable		 1n13H-2dc0A:
13.72
1n13K-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
 0.84A 1n13H-2djzA:
0.6
1n13K-2djzA:
undetectable		 1n13H-2djzA:
16.60
1n13K-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.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		4 ARG A  62
ASP A 405
LEU A  84
GLY A  83
 None
 0.95A 1n13H-2f9qA:
undetectable
1n13K-2f9qA:
undetectable		 1n13H-2f9qA:
12.68
1n13K-2f9qA:
7.27
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.
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
 0.64A 1n13H-2fknA:
undetectable
1n13K-2fknA:
undetectable		 1n13H-2fknA:
12.68
1n13K-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 4 ARG A  29
LEU A  52
ASP A  48
LEU A  45
 None
 0.83A 1n13H-2g42A:
undetectable
1n13K-2g42A:
undetectable		 1n13H-2g42A:
23.89
1n13K-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.
2ivy HYPOTHETICAL PROTEIN
SSO1404

(Sulfolobus
solfataricus) 		PF09827
(CRISPR_Cas2) 		4 GLU A  77
ASP A  30
LEU A  29
GLY A  28
 None
 0.87A 1n13H-2ivyA:
undetectable
1n13K-2ivyA:
undetectable		 1n13H-2ivyA:
20.49
1n13K-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.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 ARG A 297
LEU A 467
ASP A 466
LEU A 289
 None
 0.92A 1n13H-2jgpA:
1.1
1n13K-2jgpA:
undetectable		 1n13H-2jgpA:
11.37
1n13K-2jgpA:
8.52
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.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		4 ARG A  38
LEU A 267
ASP A  60
GLY A  57
 None
 0.94A 1n13H-2o1xA:
undetectable
1n13K-2o1xA:
undetectable		 1n13H-2o1xA:
11.70
1n13K-2o1xA:
7.48
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.
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
 1.46A 1n13H-2ongA:
undetectable
1n13K-2ongA:
undetectable		 1n13H-2ongA:
10.58
1n13K-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
 0.70A 1n13H-2pbgA:
undetectable
1n13K-2pbgA:
undetectable		 1n13H-2pbgA:
13.23
1n13K-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.
2rfb CYTOCHROME P450

(Picrophilus
torridus) 		PF00067
(p450) 		4 GLU A 313
LEU A 309
LEU A 120
GLY A 121
 None
HEM  A 410 ( 4.5A)
None
None
 0.87A 1n13H-2rfbA:
undetectable
1n13K-2rfbA:
undetectable		 1n13H-2rfbA:
14.75
1n13K-2rfbA:
11.66
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.
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
 0.57A 1n13H-2v7gA:
undetectable
1n13K-2v7gA:
undetectable		 1n13H-2v7gA:
13.19
1n13K-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
 0.74A 1n13H-2vqaA:
undetectable
1n13K-2vqaA:
undetectable		 1n13H-2vqaA:
13.47
1n13K-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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 ARG A 404
LEU A  40
ASP A  36
LEU A  33
 None
 0.77A 1n13H-2ynkA:
undetectable
1n13K-2ynkA:
undetectable		 1n13H-2ynkA:
13.36
1n13K-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.
2z36 CYTOCHROME P450 TYPE
COMPACTIN
3'',4''-HYDROXYLASE

(Nonomuraea
recticatena) 		PF00067
(p450) 		4 GLU A 365
LEU A 361
LEU A 164
GLY A 165
 None
HEM  A 450 ( 4.9A)
None
None
 0.94A 1n13H-2z36A:
undetectable
1n13K-2z36A:
undetectable		 1n13H-2z36A:
12.71
1n13K-2z36A:
8.71
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.
3a1y ACIDIC RIBOSOMAL
PROTEIN P0

(Pyrococcus
horikoshii) 		PF00466
(Ribosomal_L10) 		4 LEU G 192
ASP G 190
LEU G 189
GLY G 188
 None
 0.92A 1n13H-3a1yG:
undetectable
1n13K-3a1yG:
undetectable		 1n13H-3a1yG:
17.44
1n13K-3a1yG:
11.74
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		4 LEU A  43
ASP A  44
LEU A  53
GLY A  50
 None
 0.86A 1n13H-3bxoA:
undetectable
1n13K-3bxoA:
undetectable		 1n13H-3bxoA:
15.56
1n13K-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.
3c3v ARACHIN ARAH3
ISOFORM

(Arachis
hypogaea) 		PF00190
(Cupin_1) 		4 GLU A 114
LEU A 308
LEU A 305
GLY A 304
 None
 0.91A 1n13H-3c3vA:
undetectable
1n13K-3c3vA:
undetectable		 1n13H-3c3vA:
11.02
1n13K-3c3vA:
8.17
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.
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
 1.30A 1n13H-3d9wA:
undetectable
1n13K-3d9wA:
undetectable		 1n13H-3d9wA:
15.86
1n13K-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
 0.83A 1n13H-3dliA:
undetectable
1n13K-3dliA:
undetectable		 1n13H-3dliA:
20.09
1n13K-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
 0.76A 1n13H-3dpiA:
undetectable
1n13K-3dpiA:
undetectable		 1n13H-3dpiA:
17.50
1n13K-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.
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
 0.84A 1n13H-3e8sA:
undetectable
1n13K-3e8sA:
undetectable		 1n13H-3e8sA:
17.39
1n13K-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.
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 1n13H-3lquA:
undetectable
1n13K-3lquA:
undetectable		 1n13H-3lquA:
21.66
1n13K-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
 0.86A 1n13H-3m05A:
undetectable
1n13K-3m05A:
undetectable		 1n13H-3m05A:
19.67
1n13K-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.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLU A  65
ARG A 133
ASP A  18
LEU A 130
 None
 0.94A 1n13H-3nwrA:
undetectable
1n13K-3nwrA:
undetectable		 1n13H-3nwrA:
12.53
1n13K-3nwrA:
8.00
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.
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)
 1.41A 1n13H-3onpA:
undetectable
1n13K-3onpA:
undetectable		 1n13H-3onpA:
19.68
1n13K-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
 0.91A 1n13H-3pg5A:
undetectable
1n13K-3pg5A:
undetectable		 1n13H-3pg5A:
16.43
1n13K-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.
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)
 0.81A 1n13H-3sqlA:
undetectable
1n13K-3sqlA:
undetectable		 1n13H-3sqlA:
12.52
1n13K-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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ARG A 248
LEU A  23
ASP A 289
GLY A 256
 None
 0.93A 1n13H-3u4aA:
undetectable
1n13K-3u4aA:
undetectable		 1n13H-3u4aA:
7.93
1n13K-3u4aA:
5.93
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 GLU C 968
ARG C1210
LEU C1069
ASP C1003
 None
 0.95A 1n13H-3ud2C:
undetectable
1n13K-3ud2C:
undetectable		 1n13H-3ud2C:
13.19
1n13K-3ud2C:
9.82
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.
3v0i VOLTAGE-SENSOR
CONTAINING
PHOSPHATASE

(Ciona
intestinalis) 		PF00782
(DSPc)
PF10409
(PTEN_C2) 		4 ARG A 398
LEU A 262
ASP A 263
GLY A 365
 None
 0.95A 1n13H-3v0iA:
undetectable
1n13K-3v0iA:
undetectable		 1n13H-3v0iA:
15.60
1n13K-3v0iA:
12.30
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.
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
 0.60A 1n13H-4a29A:
undetectable
1n13K-4a29A:
undetectable		 1n13H-4a29A:
19.51
1n13K-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
 0.74A 1n13H-4a9aA:
undetectable
1n13K-4a9aA:
undetectable		 1n13H-4a9aA:
14.81
1n13K-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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		4 LEU A 148
ASP A 150
LEU A 151
GLY A 152
 None
 0.90A 1n13H-4aeeA:
undetectable
1n13K-4aeeA:
undetectable		 1n13H-4aeeA:
9.05
1n13K-4aeeA:
6.89
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ARG A 239
LEU A 447
ASP A 446
LEU A 444
GLY A 246
 None
FAD  A 551 (-3.7A)
None
None
None
 1.34A 1n13H-4c3yA:
undetectable
1n13K-4c3yA:
undetectable		 1n13H-4c3yA:
11.70
1n13K-4c3yA:
7.68
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.
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 1n13H-4cd8A:
undetectable
1n13K-4cd8A:
undetectable		 1n13H-4cd8A:
17.43
1n13K-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.
4exq UROPORPHYRINOGEN
DECARBOXYLASE

(Burkholderia
thailandensis) 		PF01208
(URO-D) 		4 ARG A 242
LEU A  14
ASP A 271
GLY A 269
 None
 0.92A 1n13H-4exqA:
undetectable
1n13K-4exqA:
undetectable		 1n13H-4exqA:
15.20
1n13K-4exqA:
10.71
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.
4is7 CASKIN-2

(Homo sapiens) 		PF00536
(SAM_1) 		4 ARG A 156
ASP A 125
LEU A 122
GLY A 121
 None
 0.85A 1n13H-4is7A:
undetectable
1n13K-4is7A:
undetectable		 1n13H-4is7A:
21.43
1n13K-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.
4o1j CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		4 GLU A 137
LEU A 154
LEU A 195
GLY A 196
 None
 0.90A 1n13H-4o1jA:
undetectable
1n13K-4o1jA:
undetectable		 1n13H-4o1jA:
21.74
1n13K-4o1jA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.80A 1n13H-4oaqA:
undetectable
1n13K-4oaqA:
undetectable		 1n13H-4oaqA:
13.90
1n13K-4oaqA:
9.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqr CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		4 GLU A 357
LEU A 353
LEU A 162
GLY A 163
 HEM  A 501 ( 4.9A)
None
None
None
 0.88A 1n13H-4oqrA:
undetectable
1n13K-4oqrA:
undetectable		 1n13H-4oqrA:
14.88
1n13K-4oqrA:
8.78
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.
4rm4 CYTOCHROME P450

(Bacillus
subtilis) 		PF00067
(p450) 		4 GLU A 358
LEU A 354
LEU A 148
GLY A 149
 None
HEM  A 401 (-4.7A)
None
None
 0.92A 1n13H-4rm4A:
undetectable
1n13K-4rm4A:
undetectable		 1n13H-4rm4A:
14.87
1n13K-4rm4A:
9.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u1c EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF05470
(eIF-3c_N) 		4 GLU C 416
LEU C 429
LEU C 486
GLY C 485
 None
 0.88A 1n13H-4u1cC:
undetectable
1n13K-4u1cC:
undetectable		 1n13H-4u1cC:
11.19
1n13K-4u1cC:
6.56
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.
4ubs PENTALENIC ACID
SYNTHASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 GLU A 360
LEU A 356
LEU A 160
GLY A 161
 HEM  A 501 ( 4.7A)
None
None
None
 0.90A 1n13H-4ubsA:
undetectable
1n13K-4ubsA:
undetectable		 1n13H-4ubsA:
14.36
1n13K-4ubsA:
9.11
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.
4uer EIF3C

(Lachancea
kluyveri) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2) 		4 GLU c 416
LEU c 429
LEU c 486
GLY c 485
 None
 0.88A 1n13H-4uerc:
undetectable
1n13K-4uerc:
undetectable		 1n13H-4uerc:
8.26
1n13K-4uerc:
6.41
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		4 ARG A 328
LEU A 269
ASP A 272
LEU A 318
 None
 0.85A 1n13H-4umvA:
undetectable
1n13K-4umvA:
undetectable		 1n13H-4umvA:
8.95
1n13K-4umvA:
4.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4whx BRANCHED-CHAIN-AMINO
-ACID TRANSAMINASE

(Burkholderia
pseudomallei) 		PF01063
(Aminotran_4) 		4 GLU A 199
LEU A 132
ASP A 182
GLY A 180
 None
 0.91A 1n13H-4whxA:
undetectable
1n13K-4whxA:
undetectable		 1n13H-4whxA:
18.39
1n13K-4whxA:
12.05
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.
4wpz CYTOCHROME P450

(Streptomyces
avermitilis) 		PF00067
(p450) 		4 GLU A 362
LEU A 358
LEU A 157
GLY A 158
 HEM  A 503 ( 4.5A)
None
None
None
 0.88A 1n13H-4wpzA:
undetectable
1n13K-4wpzA:
undetectable		 1n13H-4wpzA:
15.27
1n13K-4wpzA:
9.69
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.
4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF03734
(YkuD) 		4 LEU A 184
ASP A 188
LEU A 191
GLY A 193
 None
 0.49A 1n13H-4y4vA:
undetectable
1n13K-4y4vA:
undetectable		 1n13H-4y4vA:
14.41
1n13K-4y4vA:
9.14
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.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 GLU A 392
LEU A 557
LEU A 496
GLY A 497
 None
 0.92A 1n13H-4y9lA:
undetectable
1n13K-4y9lA:
undetectable		 1n13H-4y9lA:
12.01
1n13K-4y9lA:
7.96
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.
4ycz FUSION PROTEIN OF
SEC13 AND NUP145C

(Thermothelomyces
thermophila) 		PF00400
(WD40)
PF12110
(Nup96) 		4 LEU A1731
ASP A1725
LEU A1724
GLY A1723
 None
 0.76A 1n13H-4yczA:
undetectable
1n13K-4yczA:
undetectable		 1n13H-4yczA:
8.23
1n13K-4yczA:
4.82
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.
4yf1 LMO0812 PROTEIN

(Listeria
monocytogenes) 		PF13328
(HD_4) 		4 GLU A 169
LEU A 115
ASP A 116
GLY A  22
 None
 0.88A 1n13H-4yf1A:
undetectable
1n13K-4yf1A:
undetectable		 1n13H-4yf1A:
17.80
1n13K-4yf1A:
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		5 ARG A 296
LEU A  70
ASP A 339
LEU A 308
GLY A 307
 None
 0.93A 1n13H-4yyfA:
undetectable
1n13K-4yyfA:
undetectable		 1n13H-4yyfA:
13.61
1n13K-4yyfA:
9.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z5q CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		4 GLU A 361
LEU A 357
LEU A 157
GLY A 158
 HEM  A 401 ( 4.8A)
HEM  A 401 (-4.6A)
None
None
 0.89A 1n13H-4z5qA:
undetectable
1n13K-4z5qA:
undetectable		 1n13H-4z5qA:
14.42
1n13K-4z5qA:
8.17
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		4 ARG A 256
LEU A  16
ASP A 294
GLY A 263
 None
 0.81A 1n13H-4zm6A:
undetectable
1n13K-4zm6A:
undetectable		 1n13H-4zm6A:
9.20
1n13K-4zm6A:
5.34
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.
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 1n13H-5a8rA:
undetectable
1n13K-5a8rA:
undetectable		 1n13H-5a8rA:
12.84
1n13K-5a8rA:
8.49
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.
5bu9 BETA-N-ACETYLHEXOSAM
INIDASE

(Beutenbergia
cavernae) 		PF00933
(Glyco_hydro_3) 		4 ARG A 324
LEU A  82
ASP A 362
GLY A 331
 None
 0.82A 1n13H-5bu9A:
undetectable
1n13K-5bu9A:
undetectable		 1n13H-5bu9A:
16.62
1n13K-5bu9A:
15.25
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.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		4 GLU A 188
LEU A 125
ASP A 171
GLY A 169
 None
 0.85A 1n13H-5ce8A:
undetectable
1n13K-5ce8A:
undetectable		 1n13H-5ce8A:
19.33
1n13K-5ce8A:
10.96
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.
5cm9 RAL GUANINE
NUCLEOTIDE
DISSOCIATION
STIMULATOR-LIKE 2

(Mus musculus) 		PF00617
(RasGEF)
PF00618
(RasGEF_N) 		4 ARG A 184
ASP A 139
LEU A 136
GLY A 135
 None
 0.91A 1n13H-5cm9A:
undetectable
1n13K-5cm9A:
undetectable		 1n13H-5cm9A:
12.68
1n13K-5cm9A:
6.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dcp FILAMIN-B

(Homo sapiens) 		PF00630
(Filamin) 		4 LEU A1891
ASP A1855
LEU A1854
GLY A1853
 None
 0.95A 1n13H-5dcpA:
undetectable
1n13K-5dcpA:
undetectable		 1n13H-5dcpA:
20.44
1n13K-5dcpA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dlb CHAPERONE ESPG3

(Mycobacterium
marinum) 		PF14011
(ESX-1_EspG) 		4 GLU A 184
ARG A 200
ASP A 191
GLY A 194
 None
SO4  A 304 ( 4.6A)
None
None
 0.94A 1n13H-5dlbA:
undetectable
1n13K-5dlbA:
undetectable		 1n13H-5dlbA:
14.95
1n13K-5dlbA:
11.41
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.
5foi MYCINAMICIN VIII C21
METHYL HYDROXYLASE

(Micromonospora
griseorubida) 		PF00067
(p450) 		4 GLU A 346
LEU A 342
LEU A 147
GLY A 148
 HEM  A 413 ( 4.5A)
HEM  A 413 ( 4.9A)
None
None
 0.91A 1n13H-5foiA:
undetectable
1n13K-5foiA:
undetectable		 1n13H-5foiA:
13.94
1n13K-5foiA:
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.
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
 0.83A 1n13H-5ftfA:
undetectable
1n13K-5ftfA:
undetectable		 1n13H-5ftfA:
13.98
1n13K-5ftfA:
7.62
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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		4 ARG A 737
LEU A 681
ASP A 678
LEU A 674
 None
 0.84A 1n13H-5gl7A:
undetectable
1n13K-5gl7A:
undetectable		 1n13H-5gl7A:
11.48
1n13K-5gl7A:
8.70
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.
5h2f CYTOCHROME B559
SUBUNIT ALPHA

(Thermosynechococcus
elongatus) 		PF00283
(Cytochrom_B559)
PF00284
(Cytochrom_B559a) 		4 ARG E  51
ASP E  45
LEU E  42
GLY E  41
 None
 0.60A 1n13H-5h2fE:
undetectable
1n13K-5h2fE:
undetectable		 1n13H-5h2fE:
23.28
1n13K-5h2fE:
14.63
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.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		4 ARG A 280
LEU A 216
ASP A 212
LEU A 209
 None
 0.77A 1n13H-5h3oA:
undetectable
1n13K-5h3oA:
undetectable		 1n13H-5h3oA:
8.77
1n13K-5h3oA:
5.75
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.
5iob BETA-GLUCOSIDASE-REL
ATED GLYCOSIDASES

(Corynebacterium
glutamicum) 		PF00933
(Glyco_hydro_3) 		4 ARG A 302
LEU A  76
ASP A 346
GLY A 314
 None
 0.78A 1n13H-5iobA:
undetectable
1n13K-5iobA:
undetectable		 1n13H-5iobA:
14.04
1n13K-5iobA:
10.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECD
PROTEIN TRANSLOCASE
SUBUNIT SECF

(Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG)
PF13721
(SecD-TM1) 		4 GLU F 132
LEU F  50
ASP F  51
GLY D 573
 None
 0.86A 1n13H-5mg3F:
undetectable
1n13K-5mg3F:
undetectable		 1n13H-5mg3F:
15.74
1n13K-5mg3F:
12.06
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.
5mju EXCITATORY AMINO
ACID TRANSPORTER
1,NEUTRAL AMINO ACID
TRANSPORTER
B(0),EXCITATORY
AMINO ACID
TRANSPORTER 1

(Homo sapiens) 		PF00375
(SDF) 		4 GLU A 283
ARG A 459
ASP A 452
GLY A 427
 None
7O9  A 602 (-4.0A)
None
7O9  A 602 (-3.7A)
 0.84A 1n13H-5mjuA:
undetectable
1n13K-5mjuA:
undetectable		 1n13H-5mjuA:
12.65
1n13K-5mjuA:
8.30
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.
5ofq CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		4 GLU A 360
LEU A 356
LEU A 150
GLY A 151
 None
HEM  A 501 ( 4.8A)
None
None
 0.86A 1n13H-5ofqA:
undetectable
1n13K-5ofqA:
undetectable		 1n13H-5ofqA:
14.46
1n13K-5ofqA:
11.46
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 ARG A 280
LEU A  51
ASP A 320
GLY A 287
 None
 0.80A 1n13H-5tf0A:
undetectable
1n13K-5tf0A:
undetectable		 1n13H-5tf0A:
9.31
1n13K-5tf0A:
6.25
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.
5tv1 BETA-ARRESTIN-2

(Bos taurus) 		no annotation 4 ARG A  63
ASP A  70
LEU A  69
GLY A  65
 None
 0.79A 1n13H-5tv1A:
undetectable
1n13K-5tv1A:
undetectable		 1n13H-5tv1A:
17.41
1n13K-5tv1A:
10.59
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.
5uhu MYCINAMICIN IV
HYDROXYLASE/EPOXIDAS
E

(Micromonospora
griseorubida) 		PF00067
(p450) 		4 GLU A 355
LEU A 351
LEU A 151
GLY A 152
 None
HEM  A 401 ( 4.2A)
None
None
 0.95A 1n13H-5uhuA:
undetectable
1n13K-5uhuA:
undetectable		 1n13H-5uhuA:
13.60
1n13K-5uhuA:
9.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		4 GLU A 112
LEU A  30
LEU A  37
GLY A  38
 GBF  A1010 (-3.4A)
GBF  A1011 (-3.9A)
GBF  A1008 ( 3.2A)
None
 0.89A 1n13H-5v8kA:
undetectable
1n13K-5v8kA:
undetectable		 1n13H-5v8kA:
10.93
1n13K-5v8kA:
6.42
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.
5w3f TUBULIN ALPHA-1
CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		4 GLU A 285
ARG A 216
LEU A 277
GLY A 300
 None
 0.93A 1n13H-5w3fA:
undetectable
1n13K-5w3fA:
undetectable		 1n13H-5w3fA:
14.67
1n13K-5w3fA:
9.32
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.
5xko CYTIDINE/DEOXYCYTIDY
LATE DEAMINASE,
ZINC-BINDING REGION

(Mycolicibacterium
smegmatis) 		PF00383
(dCMP_cyt_deam_1) 		4 GLU A 144
ARG A 100
LEU A   8
ASP A   7
 None
 0.79A 1n13H-5xkoA:
undetectable
1n13K-5xkoA:
undetectable		 1n13H-5xkoA:
16.88
1n13K-5xkoA:
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.
5xnl CYTOCHROME B559
SUBUNIT ALPHA

(Pisum sativum) 		PF00283
(Cytochrom_B559)
PF00284
(Cytochrom_B559a) 		4 ARG E  51
ASP E  45
LEU E  42
GLY E  41
 None
 0.74A 1n13H-5xnlE:
undetectable
1n13K-5xnlE:
undetectable		 1n13H-5xnlE:
19.81
1n13K-5xnlE:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ARG A 274
LEU A  49
ASP A 314
GLY A 281
 None
 0.89A 1n13H-5xxoA:
undetectable
1n13K-5xxoA:
undetectable		 1n13H-5xxoA:
19.83
1n13K-5xxoA:
27.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yll BETA-1,4-MANNANASE

(Amphibacillus
xylanus) 		no annotation 4 ARG B 162
ASP B 188
LEU B 168
GLY B 167
 None
 0.85A 1n13H-5yllB:
undetectable
1n13K-5yllB:
0.0		 1n13H-5yllB:
17.59
1n13K-5yllB:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.94A 1n13H-5z9xA:
undetectable
1n13K-5z9xA:
undetectable		 1n13H-5z9xA:
15.93
1n13K-5z9xA:
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.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 4 LEU A  50
ASP A  46
LEU A  42
GLY A  41
 None
 0.78A 1n13H-6c49A:
undetectable
1n13K-6c49A:
undetectable		 1n13H-6c49A:
22.45
1n13K-6c49A:
23.53