SIMILAR PATTERNS OF AMINO ACIDS FOR 4IKK_B_SUZB201_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.
1bgp BARLEY GRAIN
PEROXIDASE

(Hordeum vulgare) 		PF00141
(peroxidase) 		4 SER A 121
ALA A  41
LEU A  43
SER A 117
 None
HEM  A 400 (-3.5A)
None
None
 0.99A 4ikkA-1bgpA:
undetectable
4ikkB-1bgpA:
undetectable		 4ikkA-1bgpA:
16.88
4ikkB-1bgpA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dlp LECTIN SCAFET
PRECURSOR

(Hyacinthoides
hispanica) 		PF01453
(B_lectin) 		4 LEU A  62
LEU A  68
SER A  81
THR A  83
 None
 1.01A 4ikkA-1dlpA:
undetectable
4ikkB-1dlpA:
undetectable		 4ikkA-1dlpA:
18.78
4ikkB-1dlpA:
18.78
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.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 LEU A 561
ALA A 546
SER A 529
THR A 527
 None
 0.73A 4ikkA-1e8tA:
undetectable
4ikkB-1e8tA:
undetectable		 4ikkA-1e8tA:
15.56
4ikkB-1e8tA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f80 HOLO-(ACYL CARRIER
PROTEIN) SYNTHASE

(Bacillus
subtilis) 		PF01648
(ACPS) 		4 LEU A   7
ALA A 111
SER A 102
THR A 104
 None
None
None
NA  A1255 (-3.8A)
 0.87A 4ikkA-1f80A:
undetectable
4ikkB-1f80A:
undetectable		 4ikkA-1f80A:
24.24
4ikkB-1f80A:
24.24
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.
1gd3 CYSTATIN A

(Homo sapiens) 		PF00031
(Cystatin) 		4 LEU A  95
ALA A   9
LEU A   6
SER A   7
 None
 1.05A 4ikkA-1gd3A:
undetectable
4ikkB-1gd3A:
undetectable		 4ikkA-1gd3A:
23.08
4ikkB-1gd3A:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gke TRANSTHYRETIN

(Rattus
norvegicus) 		PF00576
(Transthyretin) 		4 LEU A  17
ALA A 108
LEU A 110
THR A 119
 None
 0.37A 4ikkA-1gkeA:
21.2
4ikkB-1gkeA:
20.3		 4ikkA-1gkeA:
83.33
4ikkB-1gkeA:
83.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gke TRANSTHYRETIN

(Rattus
norvegicus) 		PF00576
(Transthyretin) 		4 LYS A  15
LEU A  17
ALA A 108
THR A 119
 None
 0.73A 4ikkA-1gkeA:
21.2
4ikkB-1gkeA:
20.3		 4ikkA-1gkeA:
83.33
4ikkB-1gkeA:
83.33
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.
1h4u NIDOGEN-1

(Mus musculus) 		PF07474
(G2F) 		4 SER A 430
LEU A 623
SER A 439
THR A 441
 None
 0.84A 4ikkA-1h4uA:
undetectable
4ikkB-1h4uA:
undetectable		 4ikkA-1h4uA:
18.80
4ikkB-1h4uA:
18.80
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		4 LEU A  94
ALA A  90
LEU A  96
THR A  87
 None
 0.89A 4ikkA-1j0aA:
undetectable
4ikkB-1j0aA:
undetectable		 4ikkA-1j0aA:
19.46
4ikkB-1j0aA:
19.46
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		4 LEU A 577
ALA A  78
SER A 573
THR A  75
 None
 1.00A 4ikkA-1j1wA:
undetectable
4ikkB-1j1wA:
undetectable		 4ikkA-1j1wA:
10.31
4ikkB-1j1wA:
10.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		4 LYS A 361
LEU A 357
ALA A 360
THR A 352
 None
 0.87A 4ikkA-1jmyA:
undetectable
4ikkB-1jmyA:
undetectable		 4ikkA-1jmyA:
12.64
4ikkB-1jmyA:
12.64
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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		4 LEU A 585
ALA A 291
LEU A 293
THR A 305
 None
 0.94A 4ikkA-1k25A:
undetectable
4ikkB-1k25A:
undetectable		 4ikkA-1k25A:
10.80
4ikkB-1k25A:
10.80
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		4 LEU A 361
ALA A 357
LEU A 363
THR A 354
 None
 0.84A 4ikkA-1l5jA:
undetectable
4ikkB-1l5jA:
undetectable		 4ikkA-1l5jA:
8.33
4ikkB-1l5jA:
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.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 SER A 409
LEU A 326
ALA A 324
LEU A 328
 None
 1.04A 4ikkA-1m9qA:
undetectable
4ikkB-1m9qA:
undetectable		 4ikkA-1m9qA:
15.48
4ikkB-1m9qA:
15.48
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.
1mk7 TALIN

(Gallus gallus) 		PF00373
(FERM_M)
PF02174
(IRS) 		4 SER B 379
ALA B 360
SER B 365
THR B 367
 None
 0.45A 4ikkA-1mk7B:
undetectable
4ikkB-1mk7B:
undetectable		 4ikkA-1mk7B:
22.49
4ikkB-1mk7B:
22.49
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.
1nig HYPOTHETICAL PROTEIN
TA1238

(Thermoplasma
acidophilum) 		PF09155
(DUF1940) 		4 SER A 109
ALA A  29
LEU A 102
SER A 105
 None
 0.99A 4ikkA-1nigA:
undetectable
4ikkB-1nigA:
undetectable		 4ikkA-1nigA:
17.09
4ikkB-1nigA:
17.09
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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 4 LEU B 344
ALA B 341
LEU B 339
SER B 336
 None
 1.03A 4ikkA-1p3wB:
undetectable
4ikkB-1p3wB:
undetectable		 4ikkA-1p3wB:
15.71
4ikkB-1p3wB:
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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 4 LEU B 344
ALA B 341
LEU B 339
THR B 102
 None
 1.01A 4ikkA-1p3wB:
undetectable
4ikkB-1p3wB:
undetectable		 4ikkA-1p3wB:
15.71
4ikkB-1p3wB:
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.
1qgj PEROXIDASE N

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		4 SER A 109
ALA A  34
LEU A  36
SER A 105
 None
HEM  A1350 (-3.7A)
None
None
 0.95A 4ikkA-1qgjA:
undetectable
4ikkB-1qgjA:
undetectable		 4ikkA-1qgjA:
20.38
4ikkB-1qgjA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rgw ZASP PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 SER A   4
ALA A  51
SER A  77
THR A  79
 None
 0.96A 4ikkA-1rgwA:
undetectable
4ikkB-1rgwA:
undetectable		 4ikkA-1rgwA:
17.42
4ikkB-1rgwA:
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT

(Thauera
aromatica) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 LEU B 252
ALA B 240
LEU B 242
SER B 219
 None
 0.95A 4ikkA-1sb3B:
undetectable
4ikkB-1sb3B:
undetectable		 4ikkA-1sb3B:
16.72
4ikkB-1sb3B:
16.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sn2 TRANSTHYRETIN

(Sparus aurata) 		PF00576
(Transthyretin) 		5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
 None
 0.45A 4ikkA-1sn2A:
20.3
4ikkB-1sn2A:
20.8		 4ikkA-1sn2A:
54.62
4ikkB-1sn2A:
54.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tfp TRANSTHYRETIN

(Gallus gallus) 		PF00576
(Transthyretin) 		6 LYS A  15
LEU A  17
ALA A 108
LEU A 110
SER A 117
THR A 119
 None
 0.47A 4ikkA-1tfpA:
19.6
4ikkB-1tfpA:
19.1		 4ikkA-1tfpA:
73.85
4ikkB-1tfpA:
73.85
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.
1u6z EXOPOLYPHOSPHATASE

(Escherichia
coli) 		PF02541
(Ppx-GppA) 		4 SER A 148
LEU A 124
ALA A 122
LEU A 297
 SO4  A 701 (-4.2A)
None
None
None
 1.04A 4ikkA-1u6zA:
undetectable
4ikkB-1u6zA:
undetectable		 4ikkA-1u6zA:
13.50
4ikkB-1u6zA:
13.50
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.
1urd MALTOSE-BINDING
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01547
(SBP_bac_1) 		4 SER A 296
ALA A 301
LEU A 305
THR A 298
 None
 0.96A 4ikkA-1urdA:
undetectable
4ikkB-1urdA:
undetectable		 4ikkA-1urdA:
16.53
4ikkB-1urdA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uun MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		4 LEU A  62
ALA A 164
LEU A 166
THR A 176
 None
 0.74A 4ikkA-1uunA:
undetectable
4ikkB-1uunA:
undetectable		 4ikkA-1uunA:
22.83
4ikkB-1uunA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v4a GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		4 LEU A 359
ALA A 355
LEU A 361
THR A 352
 None
 0.99A 4ikkA-1v4aA:
undetectable
4ikkB-1v4aA:
undetectable		 4ikkA-1v4aA:
13.57
4ikkB-1v4aA:
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.
1vch PHOSPHORIBOSYLTRANSF
ERASE-RELATED
PROTEIN

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		4 LEU A  45
ALA A  41
LEU A  70
THR A  38
 None
 1.00A 4ikkA-1vchA:
undetectable
4ikkB-1vchA:
undetectable		 4ikkA-1vchA:
21.14
4ikkB-1vchA:
21.14
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.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		4 SER A 146
LEU A 261
ALA A 269
THR A 268
 None
SAM  A 301 (-4.1A)
None
None
 1.02A 4ikkA-1x7pA:
undetectable
4ikkB-1x7pA:
undetectable		 4ikkA-1x7pA:
16.67
4ikkB-1x7pA:
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.
1ykd ADENYLATE CYCLASE

(Anabaena sp.) 		PF01590
(GAF) 		4 LYS A 200
ALA A 101
LEU A 180
THR A 104
 None
 1.04A 4ikkA-1ykdA:
undetectable
4ikkB-1ykdA:
undetectable		 4ikkA-1ykdA:
15.98
4ikkB-1ykdA:
15.98
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.
2af5 ENGINEERED OUTER
SURFACE PROTEIN A
(OSPA) WITH THE
INSERTED TWO
BETA-HAIRPINS

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		4 SER A 121
LEU A  88
LEU A  99
THR A 115
 None
 0.84A 4ikkA-2af5A:
undetectable
4ikkB-2af5A:
undetectable		 4ikkA-2af5A:
19.39
4ikkB-2af5A:
19.39
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.
2c2i RV0130

(Mycobacterium
tuberculosis) 		PF01575
(MaoC_dehydratas) 		4 SER A 110
LEU A  91
ALA A 143
THR A 129
 None
 0.71A 4ikkA-2c2iA:
undetectable
4ikkB-2c2iA:
undetectable		 4ikkA-2c2iA:
23.03
4ikkB-2c2iA:
23.03
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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 SER A  69
LYS A  28
LEU A 254
LEU A  62
SER A  65
 None
 1.34A 4ikkA-2csdA:
undetectable
4ikkB-2csdA:
undetectable		 4ikkA-2csdA:
13.15
4ikkB-2csdA:
13.15
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.
2ejb PROBABLE AROMATIC
ACID DECARBOXYLASE

(Aquifex
aeolicus) 		PF02441
(Flavoprotein) 		4 SER A  91
LYS A  40
ALA A  39
THR A   9
 None
 1.01A 4ikkA-2ejbA:
undetectable
4ikkB-2ejbA:
undetectable		 4ikkA-2ejbA:
20.86
4ikkB-2ejbA:
20.86
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.
2hr2 HYPOTHETICAL PROTEIN

(Chlorobaculum
tepidum) 		PF12968
(DUF3856) 		4 SER A 106
ALA A  82
LEU A  99
SER A 102
 GOL  A 159 ( 4.4A)
None
None
GOL  A 159 (-2.8A)
 0.99A 4ikkA-2hr2A:
undetectable
4ikkB-2hr2A:
undetectable		 4ikkA-2hr2A:
24.05
4ikkB-2hr2A:
24.05
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.
2i6v GENERAL SECRETION
PATHWAY PROTEIN C

(Vibrio cholerae) 		no annotation 4 LEU A 267
ALA A 263
SER A 289
THR A 291
 None
 0.95A 4ikkA-2i6vA:
undetectable
4ikkB-2i6vA:
undetectable		 4ikkA-2i6vA:
17.32
4ikkB-2i6vA:
17.32
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.
2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)

(Homo sapiens) 		no annotation 4 SER A 160
LEU A 163
SER A 188
THR A 161
 None
 0.94A 4ikkA-2jdxA:
undetectable
4ikkB-2jdxA:
undetectable		 4ikkA-2jdxA:
14.62
4ikkB-2jdxA:
14.62
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.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 LEU A 201
ALA A 199
LEU A 203
SER A 207
THR A 205
 None
 1.43A 4ikkA-2jisA:
undetectable
4ikkB-2jisA:
undetectable		 4ikkA-2jisA:
12.97
4ikkB-2jisA:
12.97
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.
2nc8 LIPOPROTEIN LPPM

(Mycobacterium
tuberculosis) 		no annotation 4 SER A  41
ALA A 142
SER A  35
THR A  33
 None
 1.01A 4ikkA-2nc8A:
undetectable
4ikkB-2nc8A:
undetectable		 4ikkA-2nc8A:
22.04
4ikkB-2nc8A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfc HYPOTHETICAL PROTEIN
RV0098/MT0107

(Mycobacterium
tuberculosis) 		PF10862
(FcoT) 		4 LEU A 141
LEU A  54
SER A  47
THR A  49
 None
 0.85A 4ikkA-2pfcA:
undetectable
4ikkB-2pfcA:
undetectable		 4ikkA-2pfcA:
18.85
4ikkB-2pfcA:
18.85
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.
2pia PHTHALATE
DIOXYGENASE
REDUCTASE

(Burkholderia
cepacia) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 LEU A 319
LEU A 321
SER A 245
THR A 247
 None
 1.03A 4ikkA-2piaA:
undetectable
4ikkB-2piaA:
undetectable		 4ikkA-2piaA:
18.04
4ikkB-2piaA:
18.04
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.
2qnw ACYL CARRIER PROTEIN

(Toxoplasma
gondii) 		PF00550
(PP-binding) 		4 LYS A  13
LEU A   9
LEU A  74
THR A  69
 None
None
None
ZN  A  86 ( 4.3A)
 1.06A 4ikkA-2qnwA:
undetectable
4ikkB-2qnwA:
undetectable		 4ikkA-2qnwA:
21.26
4ikkB-2qnwA:
21.26
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.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		4 SER A 262
ALA A 150
SER A 216
THR A 218
 None
 0.57A 4ikkA-2qp2A:
undetectable
4ikkB-2qp2A:
undetectable		 4ikkA-2qp2A:
13.13
4ikkB-2qp2A:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qq6 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 257
LEU A 236
LEU A 239
THR A 258
 None
 0.97A 4ikkA-2qq6A:
undetectable
4ikkB-2qq6A:
undetectable		 4ikkA-2qq6A:
15.62
4ikkB-2qq6A:
15.62
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.
2rjo TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Paraburkholderia
phytofirmans) 		PF13407
(Peripla_BP_4) 		4 SER A 319
LEU A 309
ALA A 147
LEU A 312
 None
 1.03A 4ikkA-2rjoA:
undetectable
4ikkB-2rjoA:
undetectable		 4ikkA-2rjoA:
18.21
4ikkB-2rjoA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 401
LEU A 403
SER A 391
THR A 393
 None
 1.04A 4ikkA-2rjtA:
undetectable
4ikkB-2rjtA:
undetectable		 4ikkA-2rjtA:
14.32
4ikkB-2rjtA:
14.32
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		4 SER A 396
LEU A 222
LEU A 225
THR A 399
 None
 1.02A 4ikkA-2v8nA:
undetectable
4ikkB-2v8nA:
undetectable		 4ikkA-2v8nA:
14.46
4ikkB-2v8nA:
14.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v9u MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		4 LEU A  62
ALA A 164
LEU A 166
THR A 176
 LEU  A  62 ( 0.5A)
ALA  A 164 ( 0.0A)
LEU  A 166 ( 0.5A)
THR  A 176 ( 0.8A)
 0.67A 4ikkA-2v9uA:
3.3
4ikkB-2v9uA:
3.2		 4ikkA-2v9uA:
23.88
4ikkB-2v9uA:
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.
2vjt ALLOPHYCOCYANIN
ALPHA SUBUNIT
ALLOPHYCOCYANIN BETA
SUBUNIT

(Gloeobacter
violaceus) 		PF00502
(Phycobilisome) 		4 LEU B  97
ALA A   7
LEU A   4
SER A   2
 None
 1.04A 4ikkA-2vjtB:
undetectable
4ikkB-2vjtB:
undetectable		 4ikkA-2vjtB:
22.78
4ikkB-2vjtB:
22.78
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.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		4 SER A 455
LYS A 489
ALA A 490
THR A 453
 None
 0.85A 4ikkA-2vwbA:
undetectable
4ikkB-2vwbA:
undetectable		 4ikkA-2vwbA:
11.80
4ikkB-2vwbA:
11.80
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.
2w6d DYNAMIN FAMILY
PROTEIN

(Nostoc
punctiforme) 		PF00350
(Dynamin_N) 		4 LEU A  49
ALA A  38
LEU A  51
THR A  34
 None
 0.86A 4ikkA-2w6dA:
undetectable
4ikkB-2w6dA:
undetectable		 4ikkA-2w6dA:
12.22
4ikkB-2w6dA:
12.22
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.
2wba TRYPANOTHIONE
REDUCTASE

(Trypanosoma
brucei) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A 464
LYS A 414
ALA A 413
LEU A 430
 None
 1.03A 4ikkA-2wbaA:
undetectable
4ikkB-2wbaA:
undetectable		 4ikkA-2wbaA:
15.73
4ikkB-2wbaA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wua ACETOACETYL COA
THIOLASE

(Helianthus
annuus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 LEU A  77
LEU A 163
SER A 102
THR A 131
 None
 1.00A 4ikkA-2wuaA:
undetectable
4ikkB-2wuaA:
undetectable		 4ikkA-2wuaA:
14.75
4ikkB-2wuaA:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 SER A 473
LEU A 369
ALA A 402
LEU A 414
 None
 0.97A 4ikkA-2xn1A:
undetectable
4ikkB-2xn1A:
undetectable		 4ikkA-2xn1A:
11.35
4ikkB-2xn1A:
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.
2y24 XYLANASE

(Dickeya
chrysanthemi) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 SER A 377
ALA A 351
SER A 406
THR A 408
 None
 0.75A 4ikkA-2y24A:
undetectable
4ikkB-2y24A:
undetectable		 4ikkA-2y24A:
15.79
4ikkB-2y24A:
15.79
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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 LEU B 585
ALA B 291
LEU B 293
THR B 305
 None
 0.91A 4ikkA-2z2mB:
undetectable
4ikkB-2z2mB:
undetectable		 4ikkA-2z2mB:
17.07
4ikkB-2z2mB:
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		4 LYS A 549
LEU A 544
SER A 643
THR A 640
 None
 0.88A 4ikkA-3aibA:
undetectable
4ikkB-3aibA:
undetectable		 4ikkA-3aibA:
9.52
4ikkB-3aibA:
9.52
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.
3b49 LIN2189 PROTEIN

(Listeria
innocua) 		PF06445
(GyrI-like) 		4 SER A  63
LYS A 120
LEU A 116
ALA A 119
 None
 1.03A 4ikkA-3b49A:
undetectable
4ikkB-3b49A:
undetectable		 4ikkA-3b49A:
21.96
4ikkB-3b49A:
21.96
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.
3bws PROTEIN LP49

(Leptospira
interrogans) 		PF10282
(Lactonase) 		4 LYS A  76
LEU A  78
LEU A  86
SER A  57
 None
 1.04A 4ikkA-3bwsA:
2.6
4ikkB-3bwsA:
undetectable		 4ikkA-3bwsA:
16.97
4ikkB-3bwsA:
16.97
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.
3d1r FRUCTOSE-1,6-BISPHOS
PHATASE CLASS II
GLPX

(Escherichia
coli) 		PF03320
(FBPase_glpX) 		4 ALA A 102
LEU A 104
SER A 281
THR A 283
 None
 0.69A 4ikkA-3d1rA:
undetectable
4ikkB-3d1rA:
undetectable		 4ikkA-3d1rA:
16.17
4ikkB-3d1rA:
16.17
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 LEU A 338
ALA A 340
SER A 334
THR A 327
 None
 1.00A 4ikkA-3e0lA:
undetectable
4ikkB-3e0lA:
undetectable		 4ikkA-3e0lA:
15.84
4ikkB-3e0lA:
15.84
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.
3ea0 ATPASE, PARA FAMILY

(Chlorobaculum
tepidum) 		PF13614
(AAA_31) 		4 SER A 212
ALA A 223
LEU A 220
SER A 218
 None
 0.94A 4ikkA-3ea0A:
undetectable
4ikkB-3ea0A:
undetectable		 4ikkA-3ea0A:
21.07
4ikkB-3ea0A:
21.07
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.
3eex OUTER SURFACE
PROTEIN A

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		4 SER A 121
LEU A  88
LEU A  99
THR A 115
 None
 0.81A 4ikkA-3eexA:
undetectable
4ikkB-3eexA:
undetectable		 4ikkA-3eexA:
19.75
4ikkB-3eexA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		4 SER A  91
LYS A 338
LEU A 334
ALA A 337
 None
 1.03A 4ikkA-3egjA:
undetectable
4ikkB-3egjA:
undetectable		 4ikkA-3egjA:
16.09
4ikkB-3egjA:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f8u TAPASIN

(Homo sapiens) 		PF07654
(C1-set) 		4 ALA B 163
LEU B 142
SER B 161
THR B 231
 None
None
NAG  B1233 ( 4.6A)
None
 0.82A 4ikkA-3f8uB:
2.9
4ikkB-3f8uB:
undetectable		 4ikkA-3f8uB:
15.36
4ikkB-3f8uB:
15.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fc8 TRANSTHYRETIN

(Homo sapiens) 		PF00576
(Transthyretin) 		5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
 IFA  A3000 (-3.0A)
IFA  A3000 ( 4.7A)
IFA  A3000 (-3.1A)
IFA  A3000 (-4.1A)
IFA  A3000 ( 4.9A)
 0.90A 4ikkA-3fc8A:
23.3
4ikkB-3fc8A:
22.4		 4ikkA-3fc8A:
100.00
4ikkB-3fc8A:
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.
3fet ELECTRON TRANSFER
FLAVOPROTEIN SUBUNIT
ALPHA RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01012
(ETF) 		4 LEU A 100
ALA A  71
LEU A  19
THR A   5
 None
 1.04A 4ikkA-3fetA:
undetectable
4ikkB-3fetA:
undetectable		 4ikkA-3fetA:
22.73
4ikkB-3fetA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhc NUCLEAR PORE COMPLEX
PROTEIN NUP214

(Homo sapiens) 		PF12894
(ANAPC4_WD40) 		5 LEU A 144
ALA A 175
LEU A 169
SER A 173
THR A 188
 None
 1.30A 4ikkA-3fhcA:
1.7
4ikkB-3fhcA:
undetectable		 4ikkA-3fhcA:
15.82
4ikkB-3fhcA:
15.82
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.
3g9w TALIN-2

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS) 		4 SER A 382
ALA A 363
SER A 368
THR A 370
 None
 0.67A 4ikkA-3g9wA:
undetectable
4ikkB-3g9wA:
undetectable		 4ikkA-3g9wA:
20.48
4ikkB-3g9wA:
20.48
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.
3hlz UNCHARACTERIZED
PROTEIN BT_1490

(Bacteroides
thetaiotaomicron) 		PF12712
(DUF3805)
PF12713
(DUF3806) 		4 SER A  95
LEU A  32
SER A 110
THR A 112
 None
 0.85A 4ikkA-3hlzA:
undetectable
4ikkB-3hlzA:
undetectable		 4ikkA-3hlzA:
18.39
4ikkB-3hlzA:
18.39
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.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ALA A 353
LEU A 345
SER A 350
THR A 352
 None
 1.05A 4ikkA-3hriA:
undetectable
4ikkB-3hriA:
undetectable		 4ikkA-3hriA:
14.45
4ikkB-3hriA:
14.45
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.
3i1a SPECTINOMYCIN
PHOSPHOTRANSFERASE

(Legionella
pneumophila) 		PF01636
(APH) 		4 SER A 176
LYS A 311
LEU A 307
LEU A 170
 None
 0.92A 4ikkA-3i1aA:
undetectable
4ikkB-3i1aA:
undetectable		 4ikkA-3i1aA:
16.50
4ikkB-3i1aA:
16.50
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.
3i44 ALDEHYDE
DEHYDROGENASE

(Bartonella
henselae) 		PF00171
(Aldedh) 		4 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.85A 4ikkA-3i44A:
undetectable
4ikkB-3i44A:
undetectable		 4ikkA-3i44A:
13.77
4ikkB-3i44A:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ijt PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		no annotation 4 SER A   0
LEU A  74
LEU A  83
SER A 103
 None
 0.96A 4ikkA-3ijtA:
undetectable
4ikkB-3ijtA:
undetectable		 4ikkA-3ijtA:
21.95
4ikkB-3ijtA:
21.95
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.
3ivf TALIN-1

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS)
PF09379
(FERM_N)
PF16511
(FERM_f0) 		4 SER A 379
ALA A 360
SER A 365
THR A 367
 None
 0.71A 4ikkA-3ivfA:
undetectable
4ikkB-3ivfA:
undetectable		 4ikkA-3ivfA:
15.01
4ikkB-3ivfA:
15.01
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.
3iwk AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		4 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.96A 4ikkA-3iwkA:
undetectable
4ikkB-3iwkA:
undetectable		 4ikkA-3iwkA:
13.12
4ikkB-3iwkA:
13.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iwu 5-HYDROXYISOURATE
HYDROLASE

(Danio rerio) 		PF00576
(Transthyretin) 		4 LEU A  14
LEU A 107
SER A 114
THR A 116
 None
 0.65A 4ikkA-3iwuA:
19.4
4ikkB-3iwuA:
19.7		 4ikkA-3iwuA:
32.86
4ikkB-3iwuA:
32.86
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.
3k96 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Coxiella
burnetii) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 LEU A 324
ALA A 198
SER A 202
THR A 199
 None
 1.01A 4ikkA-3k96A:
undetectable
4ikkB-3k96A:
undetectable		 4ikkA-3k96A:
14.70
4ikkB-3k96A:
14.70
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.
3kq5 HYPOTHETICAL
CYTOSOLIC PROTEIN

(Coxiella
burnetii) 		PF07515
(TraI_2_C) 		4 SER A 247
LEU A 257
ALA A 253
THR A 250
 None
 1.05A 4ikkA-3kq5A:
undetectable
4ikkB-3kq5A:
undetectable		 4ikkA-3kq5A:
13.45
4ikkB-3kq5A:
13.45
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.
3l7y PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1108C

(Streptococcus
mutans) 		PF08282
(Hydrolase_3) 		4 LEU A 134
ALA A 106
SER A 108
THR A 152
 None
 1.00A 4ikkA-3l7yA:
undetectable
4ikkB-3l7yA:
undetectable		 4ikkA-3l7yA:
19.44
4ikkB-3l7yA:
19.44
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.
3m7d TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24) 		5 SER A  69
LYS A  28
LEU A 254
LEU A  62
SER A  65
 None
 1.28A 4ikkA-3m7dA:
undetectable
4ikkB-3m7dA:
undetectable		 4ikkA-3m7dA:
16.99
4ikkB-3m7dA:
16.99
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.
3mbe MHC CLASS II H2-IAG7
BETA CHAIN

(Mus musculus) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		4 LEU B  26
ALA B  78
LEU B  75
THR B  77
 None
 1.02A 4ikkA-3mbeB:
2.6
4ikkB-3mbeB:
2.6		 4ikkA-3mbeB:
17.62
4ikkB-3mbeB:
17.62
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.
3mbe MHC CLASS II H2-IAG7
BETA CHAIN
TCR 21.3 ALPHA CHAIN

(Mus musculus) 		PF00969
(MHC_II_beta)
PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		4 SER C  84
LEU B  26
ALA B  78
LEU B  75
 None
 1.02A 4ikkA-3mbeC:
4.2
4ikkB-3mbeC:
3.6		 4ikkA-3mbeC:
18.31
4ikkB-3mbeC:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		4 SER A 200
LEU A  55
ALA A 117
THR A 153
 None
 1.06A 4ikkA-3mduA:
undetectable
4ikkB-3mduA:
undetectable		 4ikkA-3mduA:
12.86
4ikkB-3mduA:
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.
3nsj PERFORIN-1

(Mus musculus) 		PF00168
(C2)
PF01823
(MACPF) 		4 SER A 233
ALA A 106
SER A 170
THR A 172
 None
 0.68A 4ikkA-3nsjA:
undetectable
4ikkB-3nsjA:
3.2		 4ikkA-3nsjA:
14.56
4ikkB-3nsjA:
14.56
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.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A 111
LEU A 113
LEU A 155
THR A 148
 SO4  A   5 (-2.8A)
None
None
SO4  A 369 (-3.7A)
 0.99A 4ikkA-3nuuA:
undetectable
4ikkB-3nuuA:
undetectable		 4ikkA-3nuuA:
18.88
4ikkB-3nuuA:
18.88
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.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher) 		4 SER A 496
LEU A 551
LEU A 532
THR A 523
 None
 0.88A 4ikkA-3ohnA:
4.3
4ikkB-3ohnA:
4.3		 4ikkA-3ohnA:
11.84
4ikkB-3ohnA:
11.84
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.
3pei CYTOSOL
AMINOPEPTIDASE

(Francisella
tularensis) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 LEU A 290
ALA A 286
LEU A 292
THR A 283
 EDO  A 491 (-4.2A)
None
None
None
 0.97A 4ikkA-3peiA:
undetectable
4ikkB-3peiA:
undetectable		 4ikkA-3peiA:
13.07
4ikkB-3peiA:
13.07
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.
3phf ENVELOPE
GLYCOPROTEIN H

(Human
gammaherpesvirus
4) 		no annotation 4 LEU A 351
ALA A 104
LEU A 348
SER A 345
 None
 0.88A 4ikkA-3phfA:
undetectable
4ikkB-3phfA:
undetectable		 4ikkA-3phfA:
11.95
4ikkB-3phfA:
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 LEU B 280
LEU B 264
SER B 317
THR B 319
 None
 0.83A 4ikkA-3prxB:
undetectable
4ikkB-3prxB:
3.5		 4ikkA-3prxB:
6.13
4ikkB-3prxB:
6.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s3t NUCLEOTIDE-BINDING
PROTEIN, UNIVERSAL
STRESS PROTEIN USPA
FAMILY

(Lactobacillus
plantarum) 		PF00582
(Usp) 		4 LEU A  36
ALA A  83
LEU A  86
THR A  81
 None
 0.94A 4ikkA-3s3tA:
undetectable
4ikkB-3s3tA:
undetectable		 4ikkA-3s3tA:
22.44
4ikkB-3s3tA:
22.44
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.
3s6j HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF13419
(HAD_2) 		5 SER A 121
LEU A 231
ALA A 228
LEU A 226
THR A 119
 None
 1.47A 4ikkA-3s6jA:
undetectable
4ikkB-3s6jA:
undetectable		 4ikkA-3s6jA:
19.47
4ikkB-3s6jA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sag EXOSOME COMPONENT 10

(Homo sapiens) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 LEU A 396
ALA A 392
LEU A 398
THR A 389
 LEU  A 396 ( 0.6A)
ALA  A 392 ( 0.0A)
LEU  A 398 ( 0.6A)
THR  A 389 ( 0.8A)
 0.92A 4ikkA-3sagA:
undetectable
4ikkB-3sagA:
undetectable		 4ikkA-3sagA:
14.59
4ikkB-3sagA:
14.59
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 LEU A 240
ALA A 243
LEU A 239
THR A 187
 None
 0.90A 4ikkA-3t6sA:
undetectable
4ikkB-3t6sA:
undetectable		 4ikkA-3t6sA:
16.48
4ikkB-3t6sA:
16.48
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 LEU A 484
ALA A 498
SER A 695
THR A 500
 None
 0.93A 4ikkA-3ttfA:
undetectable
4ikkB-3ttfA:
undetectable		 4ikkA-3ttfA:
10.81
4ikkB-3ttfA:
10.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 SER A 360
LYS A 184
LEU A 182
LEU A 196
 None
 1.01A 4ikkA-3ty1A:
undetectable
4ikkB-3ty1A:
undetectable		 4ikkA-3ty1A:
17.45
4ikkB-3ty1A:
17.45
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.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 SER A 360
LYS A 184
LEU A 196
THR A 215
 None
 0.78A 4ikkA-3ty1A:
undetectable
4ikkB-3ty1A:
undetectable		 4ikkA-3ty1A:
17.45
4ikkB-3ty1A:
17.45
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.
3ty7 PUTATIVE ALDEHYDE
DEHYDROGENASE
SAV2122

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		4 LEU A 169
LEU A 142
SER A 220
THR A 222
 None
 0.80A 4ikkA-3ty7A:
undetectable
4ikkB-3ty7A:
undetectable		 4ikkA-3ty7A:
14.22
4ikkB-3ty7A:
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.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		4 LEU A 268
ALA A 266
LEU A 273
THR A 264
 None
 0.93A 4ikkA-3uk2A:
undetectable
4ikkB-3uk2A:
undetectable		 4ikkA-3uk2A:
18.44
4ikkB-3uk2A:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vot L-AMINO ACID LIGASE,
BL00235

(Bacillus
licheniformis) 		PF13535
(ATP-grasp_4) 		4 LEU A  97
ALA A  93
LEU A  99
THR A  90
 None
 0.93A 4ikkA-3votA:
undetectable
4ikkB-3votA:
undetectable		 4ikkA-3votA:
14.52
4ikkB-3votA:
14.52