SIMILAR PATTERNS OF AMINO ACIDS FOR 3ASO_C_CHDC271

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.
1914 SIGNAL RECOGNITION
PARTICLE 9/14 FUSION
PROTEIN

(Mus musculus) 		PF02290
(SRP14)
PF05486
(SRP9-21) 		4 LEU A2086
PHE A2017
LEU A2013
PHE A2009
 None
 0.86A 3asoC-1914A:
0.8
3asoJ-1914A:
0.0		 3asoC-1914A:
19.40
3asoJ-1914A:
12.86
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.
1a3q PROTEIN (NUCLEAR
FACTOR KAPPA-B P52)

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 LYS A 310
LEU A 309
LEU A 248
PHE A 289
 None
 0.96A 3asoC-1a3qA:
undetectable
3asoJ-1a3qA:
0.0		 3asoC-1a3qA:
21.92
3asoJ-1a3qA:
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.
1agx GLUTAMINASE-ASPARAGI
NASE

(Acinetobacter
glutaminasificans) 		PF00710
(Asparaginase) 		4 LEU A 313
PHE A 205
LEU A 104
PHE A 100
 None
 0.90A 3asoC-1agxA:
undetectable
3asoJ-1agxA:
0.0		 3asoC-1agxA:
21.25
3asoJ-1agxA:
11.04
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.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.97A 3asoC-1bucA:
3.8
3asoJ-1bucA:
0.0		 3asoC-1bucA:
17.69
3asoJ-1bucA:
11.04
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 LEU A 164
PHE A 175
LEU A 179
PHE A 183
 None
 0.70A 3asoC-1dj3A:
undetectable
3asoJ-1dj3A:
0.0		 3asoC-1dj3A:
19.00
3asoJ-1dj3A:
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 LEU A 200
PHE A 183
LEU A 179
PHE A 175
 None
 0.72A 3asoC-1dj3A:
undetectable
3asoJ-1dj3A:
0.0		 3asoC-1dj3A:
19.00
3asoJ-1dj3A:
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.
1f3b GLUTATHIONE
S-TRANSFERASE YA
CHAIN

(Mus musculus) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 LYS A 194
LEU A 197
GLN A 198
LEU A 164
 None
 0.98A 3asoC-1f3bA:
3.4
3asoJ-1f3bA:
0.0		 3asoC-1f3bA:
16.67
3asoJ-1f3bA:
17.02
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.
1fdj FRUCTOSE
1,6-BISPHOSPHATE
ALDOLASE

(Oryctolagus
cuniculus) 		PF00274
(Glycolytic) 		4 GLN A1336
PHE A1299
LEU A1305
PHE A1327
 None
 0.91A 3asoC-1fdjA:
undetectable
3asoJ-1fdjA:
0.0		 3asoC-1fdjA:
18.85
3asoJ-1fdjA:
11.32
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.
1fqt RIESKE-TYPE
FERREDOXIN OF
BIPHENYL DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF00355
(Rieske) 		4 LYS A  87
LEU A  86
PHE A  70
LEU A  50
 None
 0.95A 3asoC-1fqtA:
undetectable
3asoJ-1fqtA:
0.0		 3asoC-1fqtA:
15.48
3asoJ-1fqtA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		4 PHE A 157
PHE A  88
LEU A  84
PHE A  79
 None
 0.97A 3asoC-1gz5A:
undetectable
3asoJ-1gz5A:
0.0		 3asoC-1gz5A:
19.91
3asoJ-1gz5A:
8.65
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.
1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.96A 3asoC-1ji6A:
3.0
3asoJ-1ji6A:
undetectable		 3asoC-1ji6A:
19.52
3asoJ-1ji6A:
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.
1jkw CYCLIN H

(Homo sapiens) 		PF00134
(Cyclin_N)
PF16899
(Cyclin_C_2) 		4 ARG A 102
LEU A 106
PHE A 110
LEU A 129
 None
 0.90A 3asoC-1jkwA:
0.8
3asoJ-1jkwA:
undetectable		 3asoC-1jkwA:
20.52
3asoJ-1jkwA:
13.17
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		4 LEU A 871
GLN A 869
PHE A 833
LEU A 829
 None
 0.99A 3asoC-1jqoA:
3.3
3asoJ-1jqoA:
undetectable		 3asoC-1jqoA:
13.67
3asoJ-1jqoA:
5.28
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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		4 LEU A 114
PHE A 357
LEU A 360
PHE A 364
 None
 0.97A 3asoC-1js6A:
undetectable
3asoJ-1js6A:
undetectable		 3asoC-1js6A:
19.84
3asoJ-1js6A:
7.84
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		4 LEU A  20
GLN A 159
PHE A  22
LEU A 165
 None
None
NDP  A 194 (-3.6A)
None
 0.98A 3asoC-1juvA:
undetectable
3asoJ-1juvA:
undetectable		 3asoC-1juvA:
18.99
3asoJ-1juvA:
16.49
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.
1kkc MANGANESE SUPEROXIDE
DISMUTASE

(Aspergillus
fumigatus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 LEU A  28
GLN A  29
LEU A  95
PHE A  91
 None
 0.85A 3asoC-1kkcA:
2.4
3asoJ-1kkcA:
undetectable		 3asoC-1kkcA:
19.93
3asoJ-1kkcA:
13.12
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.
1kl7 THREONINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 LEU A  83
PHE A 130
LEU A 134
PHE A 138
 None
 0.77A 3asoC-1kl7A:
undetectable
3asoJ-1kl7A:
undetectable		 3asoC-1kl7A:
21.24
3asoJ-1kl7A:
8.44
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		4 LYS A 209
LEU A 207
PHE A 292
LEU A 300
 None
 0.96A 3asoC-1lfwA:
undetectable
3asoJ-1lfwA:
undetectable		 3asoC-1lfwA:
19.87
3asoJ-1lfwA:
8.01
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 ARG A 217
LEU A 221
GLN A 223
LEU A 287
 None
 0.96A 3asoC-1lnlA:
undetectable
3asoJ-1lnlA:
undetectable		 3asoC-1lnlA:
20.98
3asoJ-1lnlA:
7.60
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.
1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A

(Haemophilus
influenzae) 		PF06026
(Rib_5-P_isom_A) 		4 LEU A  15
GLN A  16
PHE A  35
LEU A  39
 None
 0.88A 3asoC-1m0sA:
undetectable
3asoJ-1m0sA:
undetectable		 3asoC-1m0sA:
19.57
3asoJ-1m0sA:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m33 BIOH PROTEIN

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		4 LEU A 132
GLN A 131
PHE A 128
LEU A 176
 None
 0.91A 3asoC-1m33A:
undetectable
3asoJ-1m33A:
undetectable		 3asoC-1m33A:
20.57
3asoJ-1m33A:
10.67
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.
1nn7 POTASSIUM CHANNEL
KV4.2

(Rattus
norvegicus) 		PF02214
(BTB_2) 		5 LYS A  42
LEU A  45
GLN A  53
PHE A  52
LEU A  67
 None
 1.39A 3asoC-1nn7A:
undetectable
3asoJ-1nn7A:
undetectable		 3asoC-1nn7A:
17.72
3asoJ-1nn7A:
17.53
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.
1ny5 TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat) 		4 LEU A 194
PHE A 204
LEU A 208
PHE A 227
 None
 0.96A 3asoC-1ny5A:
undetectable
3asoJ-1ny5A:
undetectable		 3asoC-1ny5A:
19.75
3asoJ-1ny5A:
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.
1oj4 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Escherichia
coli) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 LYS A 271
LEU A  35
PHE A  34
PHE A 245
 None
 0.94A 3asoC-1oj4A:
undetectable
3asoJ-1oj4A:
undetectable		 3asoC-1oj4A:
23.79
3asoJ-1oj4A:
17.11
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.
1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06969
(HemN_C) 		5 LEU A 277
GLN A   4
PHE A 284
PHE A 290
PHE A 222
 None
 1.32A 3asoC-1oltA:
undetectable
3asoJ-1oltA:
undetectable		 3asoC-1oltA:
20.00
3asoJ-1oltA:
8.98
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.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU B 570
GLN B 571
PHE B 574
PHE B 592
LEU B 596
 None
 0.96A 3asoC-1ovlB:
undetectable
3asoJ-1ovlB:
undetectable		 3asoC-1ovlB:
19.94
3asoJ-1ovlB:
11.79
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.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU B 570
PHE B 592
LEU B 596
PHE B 598
 None
 0.91A 3asoC-1ovlB:
undetectable
3asoJ-1ovlB:
undetectable		 3asoC-1ovlB:
19.94
3asoJ-1ovlB:
11.79
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
60 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		4 LYS A 326
LEU A 325
GLN A 293
LEU A 340
 None
 0.91A 3asoC-1pbyA:
undetectable
3asoJ-1pbyA:
undetectable		 3asoC-1pbyA:
18.43
3asoJ-1pbyA:
8.24
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.
1pja PALMITOYL-PROTEIN
THIOESTERASE 2
PRECURSOR

(Homo sapiens) 		PF02089
(Palm_thioest) 		4 LEU A  45
PHE A  46
LEU A  80
PHE A 173
 GOL  A1616 ( 4.9A)
None
None
None
 0.88A 3asoC-1pjaA:
undetectable
3asoJ-1pjaA:
undetectable		 3asoC-1pjaA:
22.12
3asoJ-1pjaA:
10.95
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.
1pv5 HYPOTHETICAL PROTEIN
YWQG

(Bacillus
subtilis) 		PF09234
(DUF1963) 		5 LYS A 194
LEU A 219
GLN A 220
PHE A  85
PHE A  68
 None
 1.35A 3asoC-1pv5A:
undetectable
3asoJ-1pv5A:
undetectable		 3asoC-1pv5A:
20.51
3asoJ-1pv5A:
13.10
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.
1sk7 HYPOTHETICAL PROTEIN
PA-HO

(Pseudomonas
aeruginosa) 		PF01126
(Heme_oxygenase) 		4 LYS A  34
PHE A 197
LEU A 193
PHE A 189
 None
None
None
HEM  A 300 (-3.7A)
 0.96A 3asoC-1sk7A:
undetectable
3asoJ-1sk7A:
undetectable		 3asoC-1sk7A:
21.29
3asoJ-1sk7A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1snx TYROSINE-PROTEIN
KINASE ITK/TSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 418
GLN A 420
PHE A 501
LEU A 473
 None
 0.80A 3asoC-1snxA:
undetectable
3asoJ-1snxA:
undetectable		 3asoC-1snxA:
19.44
3asoJ-1snxA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1svr SEVERIN

(Dictyostelium
discoideum) 		PF00626
(Gelsolin) 		4 GLN A 200
PHE A 201
PHE A 245
LEU A 249
 None
 0.87A 3asoC-1svrA:
undetectable
3asoJ-1svrA:
undetectable		 3asoC-1svrA:
17.37
3asoJ-1svrA:
26.15
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.
1tyg THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Bacillus
subtilis) 		PF05690
(ThiG) 		4 LEU A 158
PHE A 157
PHE A 142
LEU A 168
 None
 0.89A 3asoC-1tygA:
undetectable
3asoJ-1tygA:
undetectable		 3asoC-1tygA:
21.65
3asoJ-1tygA:
13.17
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.
1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E

(Clostridium
aminobutyricum) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 ARG A 433
LEU A 437
LEU A 391
PHE A 422
 None
 0.87A 3asoC-1u8vA:
3.8
3asoJ-1u8vA:
undetectable		 3asoC-1u8vA:
19.70
3asoJ-1u8vA:
8.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uus STAT PROTEIN

(Dictyostelium
discoideum) 		PF00017
(SH2)
PF09267
(Dict-STAT-coil) 		4 LYS A 330
LEU A 333
GLN A 334
PHE A 337
 None
 0.91A 3asoC-1uusA:
5.8
3asoJ-1uusA:
undetectable		 3asoC-1uusA:
19.58
3asoJ-1uusA:
8.08
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.
1uzg MAJOR ENVELOPE
PROTEIN E

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 LYS A  47
LEU A  45
GLN A  46
LEU A 281
 None
 0.76A 3asoC-1uzgA:
undetectable
3asoJ-1uzgA:
undetectable		 3asoC-1uzgA:
20.75
3asoJ-1uzgA:
8.14
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.
1v8d HYPOTHETICAL PROTEIN
(TT1679)

(Thermus
thermophilus) 		PF04260
(DUF436) 		4 LEU A  55
GLN A  56
LEU A 100
PHE A  66
 None
 0.95A 3asoC-1v8dA:
undetectable
3asoJ-1v8dA:
undetectable		 3asoC-1v8dA:
21.82
3asoJ-1v8dA:
11.89
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.
1vku ACYL CARRIER PROTEIN

(Thermotoga
maritima) 		PF00550
(PP-binding) 		4 LEU A  70
PHE A  48
LEU A  44
PHE A  36
 None
 0.89A 3asoC-1vkuA:
undetectable
3asoJ-1vkuA:
undetectable		 3asoC-1vkuA:
13.64
3asoJ-1vkuA:
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.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		4 LYS A  77
LEU A  80
GLN A  81
LEU A  65
 None
 0.96A 3asoC-1w61A:
undetectable
3asoJ-1w61A:
undetectable		 3asoC-1w61A:
20.61
3asoJ-1w61A:
9.60
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 LEU A  66
GLN A  65
LEU A  94
PHE A 132
 None
 0.94A 3asoC-1wb0A:
undetectable
3asoJ-1wb0A:
undetectable		 3asoC-1wb0A:
19.69
3asoJ-1wb0A:
9.22
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.
1wrj METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01035
(DNA_binding_1) 		4 LEU A  60
PHE A  45
LEU A  49
PHE A  53
 None
 0.98A 3asoC-1wrjA:
undetectable
3asoJ-1wrjA:
undetectable		 3asoC-1wrjA:
16.60
3asoJ-1wrjA:
18.49
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.
1xho CHORISMATE MUTASE

(Ruminiclostridium
thermocellum) 		PF07736
(CM_1) 		4 ARG A  62
GLN A  24
PHE A  46
LEU A  71
 None
 0.80A 3asoC-1xhoA:
undetectable
3asoJ-1xhoA:
undetectable		 3asoC-1xhoA:
17.72
3asoJ-1xhoA:
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.
1xw8 UPF0271 PROTEIN YBGL

(Escherichia
coli) 		PF03746
(LamB_YcsF) 		4 LEU A   5
PHE A 235
LEU A 231
PHE A 227
 None
 0.95A 3asoC-1xw8A:
undetectable
3asoJ-1xw8A:
undetectable		 3asoC-1xw8A:
18.97
3asoJ-1xw8A:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xw8 UPF0271 PROTEIN YBGL

(Escherichia
coli) 		PF03746
(LamB_YcsF) 		5 LEU A 188
GLN A 186
PHE A 227
LEU A 231
PHE A 235
 None
 1.25A 3asoC-1xw8A:
undetectable
3asoJ-1xw8A:
undetectable		 3asoC-1xw8A:
18.97
3asoJ-1xw8A:
13.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y76 PROTEIN ASSOCIATED
TO TIGHT JUNCTIONS

(Rattus
norvegicus) 		PF09045
(L27_2) 		4 LEU A  13
GLN A  14
LEU A  42
PHE A  38
 None
 0.97A 3asoC-1y76A:
undetectable
3asoJ-1y76A:
undetectable		 3asoC-1y76A:
13.03
3asoJ-1y76A:
33.87
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.
1zes PHOSPHATE REGULON
TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOB

(Escherichia
coli) 		PF00072
(Response_reg) 		4 LEU A  42
GLN A  41
PHE A  64
LEU A  68
 None
 0.88A 3asoC-1zesA:
undetectable
3asoJ-1zesA:
undetectable		 3asoC-1zesA:
16.80
3asoJ-1zesA:
20.16
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.
2brt LEUCOANTHOCYANIDIN
DIOXYGENASE

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 LEU A 210
GLN A 211
PHE A 304
LEU A 176
 None
None
NAR  A1352 ( 3.5A)
None
 0.97A 3asoC-2brtA:
undetectable
3asoJ-2brtA:
undetectable		 3asoC-2brtA:
19.40
3asoJ-2brtA:
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.
2buk COAT PROTEIN

(unidentified
tobacco
necrosis virus) 		PF03898
(TNV_CP) 		4 LEU A 174
GLN A  45
PHE A 172
PHE A  90
 None
 0.85A 3asoC-2bukA:
undetectable
3asoJ-2bukA:
undetectable		 3asoC-2bukA:
21.37
3asoJ-2bukA:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 LEU A 522
GLN A 511
PHE A 520
LEU A 428
 None
 0.92A 3asoC-2cfmA:
undetectable
3asoJ-2cfmA:
undetectable		 3asoC-2cfmA:
17.30
3asoJ-2cfmA:
7.20
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.
2cmh SPERMIDINE SYNTHASE

(Helicobacter
pylori) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 LEU A  90
GLN A  89
PHE A 144
LEU A 142
 None
 0.96A 3asoC-2cmhA:
undetectable
3asoJ-2cmhA:
undetectable		 3asoC-2cmhA:
23.63
3asoJ-2cmhA:
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.
2dae KIAA0733 PROTEIN

(Homo sapiens) 		PF02845
(CUE) 		4 LEU A  47
GLN A  49
PHE A  21
LEU A  17
 None
 0.92A 3asoC-2daeA:
undetectable
3asoJ-2daeA:
undetectable		 3asoC-2daeA:
15.35
3asoJ-2daeA:
23.88
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.
2dpy FLAGELLUM-SPECIFIC
ATP SYNTHASE

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		4 LEU A 428
PHE A 431
PHE A 391
LEU A 395
 None
 0.94A 3asoC-2dpyA:
undetectable
3asoJ-2dpyA:
undetectable		 3asoC-2dpyA:
20.50
3asoJ-2dpyA:
7.97
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.
2fnu AMINOTRANSFERASE

(Helicobacter
pylori) 		PF01041
(DegT_DnrJ_EryC1) 		4 LEU A 243
GLN A 242
PHE A  37
LEU A  41
 None
 0.83A 3asoC-2fnuA:
undetectable
3asoJ-2fnuA:
undetectable		 3asoC-2fnuA:
20.38
3asoJ-2fnuA:
10.68
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.
2gwc GLUTAMATE CYSTEINE
LIGASE

(Brassica juncea) 		PF04107
(GCS2) 		4 LEU A 350
PHE A 349
PHE A 346
LEU A  86
 None
 0.91A 3asoC-2gwcA:
undetectable
3asoJ-2gwcA:
undetectable		 3asoC-2gwcA:
19.51
3asoJ-2gwcA:
8.75
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.
2haj DNA PRIMASE

(Escherichia
coli) 		PF08278
(DnaG_DnaB_bind) 		4 LEU A 454
PHE A 535
LEU A 539
PHE A 543
 None
 0.84A 3asoC-2hajA:
undetectable
3asoJ-2hajA:
undetectable		 3asoC-2hajA:
19.01
3asoJ-2hajA:
16.89
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.
2i6x HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Porphyromonas
gingivalis) 		PF13419
(HAD_2) 		5 LEU A 106
PHE A   7
PHE A 134
LEU A 130
PHE A 123
 None
 1.40A 3asoC-2i6xA:
undetectable
3asoJ-2i6xA:
undetectable		 3asoC-2i6xA:
20.30
3asoJ-2i6xA:
16.34
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.
2ibd POSSIBLE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		4 LEU A 131
PHE A 135
PHE A  74
LEU A  70
 None
 0.91A 3asoC-2ibdA:
undetectable
3asoJ-2ibdA:
undetectable		 3asoC-2ibdA:
24.73
3asoJ-2ibdA:
12.75
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.
2iop CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 LEU A 382
PHE A 378
PHE A 374
LEU A 360
 None
 0.97A 3asoC-2iopA:
undetectable
3asoJ-2iopA:
undetectable		 3asoC-2iopA:
16.83
3asoJ-2iopA:
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.
2ior CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF02518
(HATPase_c) 		4 LEU A 119
GLN A 122
PHE A 105
LEU A 109
 None
 0.99A 3asoC-2iorA:
undetectable
3asoJ-2iorA:
undetectable		 3asoC-2iorA:
21.32
3asoJ-2iorA:
14.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Homo sapiens) 		PF00106
(adh_short) 		4 LYS A  68
LEU A  71
GLN A  72
PHE A 102
 None
 0.90A 3asoC-2irwA:
undetectable
3asoJ-2irwA:
undetectable		 3asoC-2irwA:
18.75
3asoJ-2irwA:
12.50
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.
2n2n TARGET OF MYB
PROTEIN 1

(Homo sapiens) 		PF03127
(GAT) 		4 LEU A 254
GLN A 255
PHE A 301
LEU A 238
 None
 0.99A 3asoC-2n2nA:
3.6
3asoJ-2n2nA:
undetectable		 3asoC-2n2nA:
14.79
3asoJ-2n2nA:
16.67
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.
2nra PI PROTEIN

(Escherichia
coli) 		PF01051
(Rep_3) 		5 LEU C 259
PHE C 191
PHE C 261
LEU C 228
PHE C 223
 None
 1.40A 3asoC-2nraC:
undetectable
3asoJ-2nraC:
undetectable		 3asoC-2nraC:
20.27
3asoJ-2nraC:
11.95
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.
2nt8 COBALAMIN
ADENOSYLTRANSFERASE

(Lactobacillus
reuteri) 		PF01923
(Cob_adeno_trans) 		4 LEU A  95
PHE A 154
LEU A 158
PHE A 162
 None
 0.85A 3asoC-2nt8A:
2.7
3asoJ-2nt8A:
undetectable		 3asoC-2nt8A:
21.30
3asoJ-2nt8A:
12.11
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.
2olt HYPOTHETICAL PROTEIN

(Shewanella
oneidensis) 		PF01865
(PhoU_div) 		4 LEU A 117
GLN A 118
PHE A 121
LEU A 183
 None
 0.75A 3asoC-2oltA:
4.6
3asoJ-2oltA:
undetectable		 3asoC-2oltA:
22.38
3asoJ-2oltA:
16.75
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.
2opt ACTII PROTEIN

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		4 ARG A  75
LEU A  79
PHE A  83
LEU A  49
 None
 0.72A 3asoC-2optA:
3.1
3asoJ-2optA:
undetectable		 3asoC-2optA:
23.19
3asoJ-2optA:
12.39
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.
2otn DIAMINOPIMELATE
EPIMERASE

(Bacillus
anthracis) 		PF01678
(DAP_epimerase) 		4 ARG A  81
LYS A 271
LEU A 258
LEU A  12
 None
 0.65A 3asoC-2otnA:
undetectable
3asoJ-2otnA:
undetectable		 3asoC-2otnA:
21.78
3asoJ-2otnA:
14.93
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.
2p1n SKP1-LIKE PROTEIN 1A
TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN

(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		PF01466
(Skp1)
PF03931
(Skp1_POZ)
PF12937
(F-box-like) 		4 PHE A  99
PHE B   9
LEU B  14
PHE B  18
 None
 0.86A 3asoC-2p1nA:
undetectable
3asoJ-2p1nA:
undetectable		 3asoC-2p1nA:
18.58
3asoJ-2p1nA:
23.02
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.
2pkg SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
65 KDA REGULATORY
SUBUNIT A ALPHA
ISOFORM

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		4 LYS A 163
LEU A 166
PHE A 170
PHE A 128
 None
 0.95A 3asoC-2pkgA:
undetectable
3asoJ-2pkgA:
undetectable		 3asoC-2pkgA:
18.53
3asoJ-2pkgA:
8.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pn1 CARBAMOYLPHOSPHATE
SYNTHASE LARGE
SUBUNIT

(Exiguobacterium
sibiricum) 		PF02655
(ATP-grasp_3) 		4 LEU A 289
GLN A 288
PHE A  21
LEU A  76
 None
 0.82A 3asoC-2pn1A:
undetectable
3asoJ-2pn1A:
undetectable		 3asoC-2pn1A:
20.12
3asoJ-2pn1A:
9.61
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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 LEU A 288
GLN A 289
PHE A 290
LEU A  64
 None
 0.94A 3asoC-2q0xA:
undetectable
3asoJ-2q0xA:
undetectable		 3asoC-2q0xA:
23.31
3asoJ-2q0xA:
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.
2q2r GLUCOKINASE 1,
PUTATIVE

(Trypanosoma
cruzi) 		PF02685
(Glucokinase) 		5 ARG A  83
LEU A  24
PHE A  26
PHE A  39
LEU A  15
 None
 1.43A 3asoC-2q2rA:
undetectable
3asoJ-2q2rA:
undetectable		 3asoC-2q2rA:
21.78
3asoJ-2q2rA:
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.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		5 LYS A 335
LEU A 338
PHE A 342
PHE A 195
LEU A 194
 None
 1.29A 3asoC-2qp2A:
undetectable
3asoJ-2qp2A:
undetectable		 3asoC-2qp2A:
18.59
3asoJ-2qp2A:
7.05
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.
2qr6 IMP
DEHYDROGENASE/GMP
REDUCTASE

(Corynebacterium
glutamicum) 		PF00478
(IMPDH) 		4 LEU A 363
GLN A 367
PHE A 366
PHE A  51
 None
 0.77A 3asoC-2qr6A:
undetectable
3asoJ-2qr6A:
undetectable		 3asoC-2qr6A:
17.81
3asoJ-2qr6A:
9.67
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 LEU A 588
GLN A 594
PHE A 565
LEU A 563
PHE A 557
 None
 1.46A 3asoC-2quaA:
undetectable
3asoJ-2quaA:
undetectable		 3asoC-2quaA:
17.87
3asoJ-2quaA:
6.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qv8 GENERAL SECRETION
PATHWAY PROTEIN H

(Vibrio cholerae) 		PF12019
(GspH) 		4 LEU A 177
GLN A 172
LEU A  43
PHE A  39
 None
 0.94A 3asoC-2qv8A:
undetectable
3asoJ-2qv8A:
undetectable		 3asoC-2qv8A:
17.74
3asoJ-2qv8A:
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.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 LEU A 128
PHE A 132
PHE A 147
LEU A 155
 QSO  A 701 (-3.8A)
QSO  A 701 (-4.8A)
None
K  A 362 (-4.4A)
 0.97A 3asoC-2qyoA:
undetectable
3asoJ-2qyoA:
undetectable		 3asoC-2qyoA:
19.63
3asoJ-2qyoA:
13.09
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.
2riu 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Candida
albicans) 		PF00926
(DHBP_synthase) 		4 LEU A 113
PHE A  93
PHE A 123
LEU A  70
 None
 0.92A 3asoC-2riuA:
undetectable
3asoJ-2riuA:
undetectable		 3asoC-2riuA:
21.66
3asoJ-2riuA:
14.50
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.
2uxo HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR

(Pseudomonas
putida) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		4 ARG A  90
LYS A  91
LEU A  94
GLN A  95
 None
 0.94A 3asoC-2uxoA:
undetectable
3asoJ-2uxoA:
undetectable		 3asoC-2uxoA:
21.16
3asoJ-2uxoA:
15.71
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.
2vwa PUTATIVE
UNCHARACTERIZED
PROTEIN PF13_0012

(Plasmodium
falciparum) 		PF11567
(PfUIS3) 		4 LYS A 213
LEU A 216
GLN A 217
PHE A 167
 None
 0.95A 3asoC-2vwaA:
undetectable
3asoJ-2vwaA:
undetectable		 3asoC-2vwaA:
12.17
3asoJ-2vwaA:
20.43
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.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 ARG A 141
LYS A 142
LEU A 145
GLN A 146
 None
 0.96A 3asoC-2vxyA:
undetectable
3asoJ-2vxyA:
undetectable		 3asoC-2vxyA:
18.09
3asoJ-2vxyA:
10.08
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.
2wch GENERAL
ODORANT-BINDING
PROTEIN 1

(Bombyx mori) 		PF01395
(PBP_GOBP) 		5 ARG A  20
LEU A  16
PHE A  12
PHE A  33
LEU A  30
 None
None
B7M  A1145 (-3.7A)
None
None
 1.38A 3asoC-2wchA:
undetectable
3asoJ-2wchA:
undetectable		 3asoC-2wchA:
17.25
3asoJ-2wchA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wrd HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 LYS A 106
LEU A 109
PHE A 115
LEU A 176
 None
 0.97A 3asoC-2wrdA:
undetectable
3asoJ-2wrdA:
undetectable		 3asoC-2wrdA:
18.97
3asoJ-2wrdA:
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.
2xgo XCOGT

(Xanthomonas
campestris) 		PF13432
(TPR_16)
PF13844
(Glyco_transf_41) 		4 ARG A 532
LEU A 536
PHE A 543
LEU A 501
 None
 0.99A 3asoC-2xgoA:
undetectable
3asoJ-2xgoA:
undetectable		 3asoC-2xgoA:
16.90
3asoJ-2xgoA:
7.00
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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
 0.97A 3asoC-2xt6A:
undetectable
3asoJ-2xt6A:
undetectable		 3asoC-2xt6A:
12.79
3asoJ-2xt6A:
4.88
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.
2y0n MALE-SPECIFIC LETHAL
3 HOMOLOG

(Homo sapiens) 		PF05712
(MRG) 		4 LEU A 180
PHE A 499
LEU A 491
PHE A 487
 None
 0.91A 3asoC-2y0nA:
undetectable
3asoJ-2y0nA:
undetectable		 3asoC-2y0nA:
18.22
3asoJ-2y0nA:
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 LEU A 818
PHE A 822
PHE A 832
LEU A 836
 None
 0.74A 3asoC-2yd0A:
undetectable
3asoJ-2yd0A:
undetectable		 3asoC-2yd0A:
14.57
3asoJ-2yd0A:
4.80
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.
2yfu CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		no annotation 4 GLN A  78
PHE A  77
PHE A 134
LEU A  47
 None
None
None
GOL  A1143 (-4.6A)
 0.94A 3asoC-2yfuA:
undetectable
3asoJ-2yfuA:
undetectable		 3asoC-2yfuA:
19.85
3asoJ-2yfuA:
17.42
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.
2yok EXOGLUCANASE 1

(Trichoderma
harzianum) 		PF00840
(Glyco_hydro_7) 		4 LYS A 323
GLN A 325
PHE A 286
LEU A 295
 None
 0.93A 3asoC-2yokA:
undetectable
3asoJ-2yokA:
undetectable		 3asoC-2yokA:
19.73
3asoJ-2yokA:
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.
2z63 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LYS A 349
LEU A 372
PHE A 396
LEU A 356
 None
 0.98A 3asoC-2z63A:
undetectable
3asoJ-2z63A:
undetectable		 3asoC-2z63A:
18.51
3asoJ-2z63A:
7.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zf9 SCAE CELL-SURFACE
ANCHORED SCAFFOLDIN
PROTEIN

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin) 		4 LYS A  70
LEU A 123
GLN A 124
PHE A 102
 None
 0.96A 3asoC-2zf9A:
undetectable
3asoJ-2zf9A:
undetectable		 3asoC-2zf9A:
20.74
3asoJ-2zf9A:
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.
3ay5 CYCLIN-D1-BINDING
PROTEIN 1

(Homo sapiens) 		PF13324
(GCIP) 		4 GLN A 161
PHE A  99
LEU A  56
PHE A  52
 None
 0.95A 3asoC-3ay5A:
4.8
3asoJ-3ay5A:
undetectable		 3asoC-3ay5A:
21.94
3asoJ-3ay5A:
11.36
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.
3ba3 PYRIDOXAMINE
5'-PHOSPHATE
OXIDASE-LIKE PROTEIN

(Lactobacillus
plantarum) 		no annotation 5 LEU A 123
GLN A  87
PHE A 121
PHE A  45
LEU A  18
 None
 0.96A 3asoC-3ba3A:
undetectable
3asoJ-3ba3A:
undetectable		 3asoC-3ba3A:
21.19
3asoJ-3ba3A:
18.71
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.
3bgh PUTATIVE
NEURAMINYLLACTOSE-BI
NDING HEMAGGLUTININ
HOMOLOG

(Helicobacter
pylori) 		PF05211
(NLBH) 		4 GLN A  78
PHE A  81
PHE A  44
LEU A  42
 None
 0.95A 3asoC-3bghA:
2.1
3asoJ-3bghA:
undetectable		 3asoC-3bghA:
19.22
3asoJ-3bghA:
13.59
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.
3bho CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 5

(Homo sapiens) 		PF13869
(NUDIX_2) 		5 LYS A 192
LEU A  97
GLN A  98
LEU A 129
PHE A 185
 None
 1.39A 3asoC-3bhoA:
undetectable
3asoJ-3bhoA:
undetectable		 3asoC-3bhoA:
19.00
3asoJ-3bhoA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ce2 PUTATIVE PEPTIDASE

(Chlamydia
abortus) 		PF01432
(Peptidase_M3)
PF08439
(Peptidase_M3_N) 		4 LEU A 472
GLN A 470
PHE A 506
LEU A 502
 None
 0.99A 3asoC-3ce2A:
3.5
3asoJ-3ce2A:
undetectable		 3asoC-3ce2A:
18.99
3asoJ-3ce2A:
7.65
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.
3cfx UPF0100 PROTEIN
MA_0280

(Methanosarcina
acetivorans) 		PF13531
(SBP_bac_11) 		4 LEU A  58
PHE A 311
LEU A 315
PHE A 118
 None
 0.97A 3asoC-3cfxA:
undetectable
3asoJ-3cfxA:
undetectable		 3asoC-3cfxA:
20.43
3asoJ-3cfxA:
14.80
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.
3cr8 SULFATE
ADENYLYLTRANSFERASE,
ADENYLYLSULFATE
KINASE

(Thiobacillus
denitrificans) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 LEU A  74
GLN A  73
PHE A  79
LEU A  56
 None
 0.95A 3asoC-3cr8A:
undetectable
3asoJ-3cr8A:
undetectable		 3asoC-3cr8A:
20.53
3asoJ-3cr8A:
6.16
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.
3dqv CULLIN-5

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 LEU C1600
GLN C1599
PHE C1598
LEU C1551
 None
 0.90A 3asoC-3dqvC:
undetectable
3asoJ-3dqvC:
undetectable		 3asoC-3dqvC:
20.37
3asoJ-3dqvC:
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.
3dra GERANYLGERANYLTRANSF
ERASE TYPE I BETA
SUBUNIT

(Candida
albicans) 		PF00432
(Prenyltrans) 		4 LEU B   4
GLN B   3
PHE B 365
LEU B 357
 None
 0.96A 3asoC-3draB:
undetectable
3asoJ-3draB:
undetectable		 3asoC-3draB:
18.70
3asoJ-3draB:
11.08