SIMILAR PATTERNS OF AMINO ACIDS FOR 4IKK_A_SUZA201_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.
1a25 PROTEIN KINASE C
(BETA)

(Rattus
norvegicus) 		PF00168
(C2) 		4 LYS A 211
SER A 241
SER A 258
SER A 260
 None
 0.94A 4ikkA-1a25A:
0.3
4ikkB-1a25A:
1.1		 4ikkA-1a25A:
23.27
4ikkB-1a25A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a87 COLICIN N

(Escherichia
coli) 		PF01024
(Colicin) 		4 ALA A 245
LEU A 247
SER A 368
SER A 367
 None
 0.83A 4ikkA-1a87A:
undetectable
4ikkB-1a87A:
undetectable		 4ikkA-1a87A:
18.99
4ikkB-1a87A:
18.99
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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 LEU A 465
ALA A 451
LEU A 449
SER A 443
 None
 0.89A 4ikkA-1b2hA:
undetectable
4ikkB-1b2hA:
undetectable		 4ikkA-1b2hA:
13.15
4ikkB-1b2hA:
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.
1b2w PROTEIN (ANTIBODY
(HEAVY CHAIN))

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H 128
ALA H 141
SER H 131
SER H 134
SER H 219
 None
 1.23A 4ikkA-1b2wH:
1.9
4ikkB-1b2wH:
2.0		 4ikkA-1b2wH:
19.91
4ikkB-1b2wH:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bg4 ENDO-1,4-BETA-XYLANA
SE

(Penicillium
simplicissimum) 		PF00331
(Glyco_hydro_10) 		5 LEU A 284
ALA A 244
LEU A 283
SER A 280
SER A 278
 None
 1.19A 4ikkA-1bg4A:
undetectable
4ikkB-1bg4A:
undetectable		 4ikkA-1bg4A:
17.06
4ikkB-1bg4A:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bgp BARLEY GRAIN
PEROXIDASE

(Hordeum vulgare) 		PF00141
(peroxidase) 		4 ALA A  41
LEU A  43
SER A 117
SER A 121
 HEM  A 400 (-3.5A)
None
None
None
 0.97A 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.
1f5j BETA-1,4-XYLANASE

(Dictyoglomus
thermophilum) 		PF00457
(Glyco_hydro_11) 		4 LYS A  19
LEU A  17
ALA A  44
SER A  76
 None
 0.71A 4ikkA-1f5jA:
0.0
4ikkB-1f5jA:
undetectable		 4ikkA-1f5jA:
19.39
4ikkB-1f5jA:
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.
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)
 0.85A 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.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ALA A 218
SER A 191
SER A 181
SER A 183
 None
 0.59A 4ikkA-1fcpA:
0.0
4ikkB-1fcpA:
0.5		 4ikkA-1fcpA:
10.68
4ikkB-1fcpA:
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.
1g0d PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Pagrus major) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 LEU A 588
SER A 606
THR A 608
SER A 646
 None
 0.89A 4ikkA-1g0dA:
0.0
4ikkB-1g0dA:
0.1		 4ikkA-1g0dA:
14.08
4ikkB-1g0dA:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g5g FUSION PROTEIN

(Avian
avulavirus 1) 		PF00523
(Fusion_gly) 		4 LEU A 345
SER A 262
SER A 265
SER A 261
 None
 0.98A 4ikkA-1g5gA:
undetectable
4ikkB-1g5gA:
undetectable		 4ikkA-1g5gA:
13.86
4ikkB-1g5gA:
13.86
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) 		5 LEU A  17
ALA A 108
LEU A 110
SER A 117
THR A 119
 None
 0.73A 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) 		5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
 None
 0.56A 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 LEU A 623
SER A 439
THR A 441
SER A 430
 None
 0.81A 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.
1h71 SERRALYSIN

(Pseudomonas sp.
'TAC II 18') 		PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 LEU P 401
ALA P 403
SER P   5
SER P   6
 None
 0.81A 4ikkA-1h71P:
undetectable
4ikkB-1h71P:
undetectable		 4ikkA-1h71P:
16.93
4ikkB-1h71P:
16.93
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.
1hq0 CYTOTOXIC
NECROTIZING FACTOR 1

(Escherichia
coli) 		PF05785
(CNF1) 		4 SER A 975
THR A 977
SER A 990
SER A 992
 None
 0.70A 4ikkA-1hq0A:
undetectable
4ikkB-1hq0A:
undetectable		 4ikkA-1hq0A:
21.14
4ikkB-1hq0A:
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.
1idm 3-ISOPROPYLMALATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		4 LEU A   6
LEU A  69
SER A 259
SER A 257
 None
 0.92A 4ikkA-1idmA:
undetectable
4ikkB-1idmA:
undetectable		 4ikkA-1idmA:
18.08
4ikkB-1idmA:
18.08
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		4 LEU A  94
ALA A  90
LEU A  96
THR A  87
 None
 0.88A 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.
1jl0 S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME

(Homo sapiens) 		PF01536
(SAM_decarbox) 		4 LEU A 177
LEU A 284
THR A 323
SER A 312
 None
 0.71A 4ikkA-1jl0A:
undetectable
4ikkB-1jl0A:
undetectable		 4ikkA-1jl0A:
19.41
4ikkB-1jl0A:
19.41
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.
1jxn ANTI-H(O) LECTIN I

(Ulex europaeus) 		PF00139
(Lectin_legB) 		4 SER A 184
THR A 186
SER A 193
SER A 195
 None
 0.83A 4ikkA-1jxnA:
undetectable
4ikkB-1jxnA:
undetectable		 4ikkA-1jxnA:
19.82
4ikkB-1jxnA:
19.82
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.
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
 0.90A 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.
1k85 CHITINASE A1

(Bacillus
circulans) 		PF00041
(fn3) 		4 ALA A 570
SER A 575
THR A 577
SER A 612
 None
 0.79A 4ikkA-1k85A:
undetectable
4ikkB-1k85A:
undetectable		 4ikkA-1k85A:
22.46
4ikkB-1k85A:
22.46
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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 LEU A 203
ALA A 199
THR A 196
SER A 194
SER A 245
 None
 1.26A 4ikkA-1kq3A:
undetectable
4ikkB-1kq3A:
undetectable		 4ikkA-1kq3A:
14.97
4ikkB-1kq3A:
14.97
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.
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.
1lcs FELINE LEUKEMIA
VIRUS
RECEPTOR-BINDING
DOMAIN

(Feline leukemia
virus) 		PF00429
(TLV_coat) 		4 ALA A  25
THR A  13
SER A 200
SER A 198
 None
 0.96A 4ikkA-1lcsA:
1.6
4ikkB-1lcsA:
undetectable		 4ikkA-1lcsA:
20.66
4ikkB-1lcsA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrv LEUCINE-RICH REPEAT
VARIANT

(Azotobacter
vinelandii) 		PF01816
(LRV)
PF05484
(LRV_FeS) 		4 LEU A  79
ALA A  93
LEU A  82
SER A  86
 None
 0.71A 4ikkA-1lrvA:
undetectable
4ikkB-1lrvA:
undetectable		 4ikkA-1lrvA:
18.70
4ikkB-1lrvA:
18.70
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.
1mk7 TALIN

(Gallus gallus) 		PF00373
(FERM_M)
PF02174
(IRS) 		4 ALA B 360
SER B 365
THR B 367
SER B 379
 None
 0.43A 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 ALA A  29
LEU A 102
SER A 105
SER A 109
 None
 0.96A 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.
1o75 47 KDA MEMBRANE
ANTIGEN

(Treponema
pallidum) 		PF14888
(PBP-Tp47_c)
PF14889
(PBP-Tp47_a) 		5 ALA A 161
LEU A 166
THR A 191
SER A 199
SER A 197
 None
 1.42A 4ikkA-1o75A:
undetectable
4ikkB-1o75A:
3.6		 4ikkA-1o75A:
16.87
4ikkB-1o75A:
16.87
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.
1pc3 PHOSPHATE-BINDING
PROTEIN 1

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		4 LEU A  41
LEU A  38
SER A  35
SER A  65
 None
None
PO4  A1352 (-2.8A)
PO4  A1352 (-2.7A)
 0.98A 4ikkA-1pc3A:
undetectable
4ikkB-1pc3A:
undetectable		 4ikkA-1pc3A:
15.41
4ikkB-1pc3A:
15.41
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.
1pw3 IMMUNOGLOBULIN
LAMBDA CHAIN
VARIABLE REGION

(Homo sapiens) 		PF07686
(V-set) 		4 SER A  22
THR A  24
SER A  70
SER A  72
 None
 0.98A 4ikkA-1pw3A:
4.0
4ikkB-1pw3A:
undetectable		 4ikkA-1pw3A:
21.05
4ikkB-1pw3A:
21.05
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.
1qgj PEROXIDASE N

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		4 ALA A  34
LEU A  36
SER A 105
SER A 109
 HEM  A1350 (-3.7A)
None
None
None
 0.93A 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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 LYS A 201
LEU A 197
ALA A 200
THR A 210
SER A 213
 None
 1.42A 4ikkA-1qh5A:
undetectable
4ikkB-1qh5A:
undetectable		 4ikkA-1qh5A:
19.47
4ikkB-1qh5A:
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.
1qhg ATP-DEPENDENT
HELICASE PCRA

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 ALA A 150
LEU A 156
THR A 147
SER A 174
 None
 0.95A 4ikkA-1qhgA:
undetectable
4ikkB-1qhgA:
undetectable		 4ikkA-1qhgA:
11.86
4ikkB-1qhgA:
11.86
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.
1qhh PROTEIN (PCRA
(SUBUNIT))

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 ALA A 150
LEU A 156
THR A 147
SER B 174
 None
 0.93A 4ikkA-1qhhA:
undetectable
4ikkB-1qhhA:
undetectable		 4ikkA-1qhhA:
21.89
4ikkB-1qhhA:
21.89
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.
1qmo MANNOSE BINDING
LECTIN, FRIL

(Lablab
purpureus) 		PF00139
(Lectin_legB) 		4 SER E 240
THR E 242
SER A   5
SER A   7
 None
 0.79A 4ikkA-1qmoE:
undetectable
4ikkB-1qmoE:
undetectable		 4ikkA-1qmoE:
16.79
4ikkB-1qmoE:
16.79
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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT

(Pseudomonas
putida) 		PF00676
(E1_dh)
PF12573
(OxoDH_E1alpha_N) 		4 LEU A 237
LEU A 301
SER A 271
SER A  51
 None
 0.93A 4ikkA-1qs0A:
undetectable
4ikkB-1qs0A:
undetectable		 4ikkA-1qs0A:
15.19
4ikkB-1qs0A:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rgw ZASP PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 ALA A  51
SER A  77
THR A  79
SER A   4
 None
 0.92A 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
 0.86A 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
 0.59A 4ikkA-1sn2A:
20.3
4ikkB-1sn2A:
20.8		 4ikkA-1sn2A:
54.62
4ikkB-1sn2A:
54.62
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.
1spx SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5L265)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		4 LEU A 122
SER A 147
SER A 189
SER A 191
 None
 0.94A 4ikkA-1spxA:
undetectable
4ikkB-1spxA:
undetectable		 4ikkA-1spxA:
18.84
4ikkB-1spxA:
18.84
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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		4 LEU A 181
ALA A 178
LEU A 176
SER A 171
 None
 0.73A 4ikkA-1su7A:
undetectable
4ikkB-1su7A:
undetectable		 4ikkA-1su7A:
11.95
4ikkB-1su7A:
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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		4 ALA A 294
SER A  41
THR A  43
SER A 115
 None
 0.94A 4ikkA-1t1eA:
undetectable
4ikkB-1t1eA:
undetectable		 4ikkA-1t1eA:
14.40
4ikkB-1t1eA:
14.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Escherichia
coli) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 LEU A 152
ALA A 149
LEU A 147
SER A 143
 None
 0.92A 4ikkA-1t4bA:
undetectable
4ikkB-1t4bA:
undetectable		 4ikkA-1t4bA:
19.18
4ikkB-1t4bA:
19.18
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
 0.64A 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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ALA A 381
SER A 126
SER A 129
SER A 127
 None
None
None
2MD  A 799 (-3.4A)
 0.71A 4ikkA-1tmoA:
undetectable
4ikkB-1tmoA:
undetectable		 4ikkA-1tmoA:
11.32
4ikkB-1tmoA:
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.
1tvz 3-HYDROXY-3-METHYLGL
UTARYL-COA SYNTHASE

(Staphylococcus
aureus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 LYS A   2
ALA A 170
SER A 315
THR A 317
 None
 0.89A 4ikkA-1tvzA:
undetectable
4ikkB-1tvzA:
undetectable		 4ikkA-1tvzA:
15.95
4ikkB-1tvzA:
15.95
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.
1um4 ANTIBODY 21H3 H
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H 130
ALA H 143
SER H 133
SER H 134
 None
 0.97A 4ikkA-1um4H:
undetectable
4ikkB-1um4H:
undetectable		 4ikkA-1um4H:
21.86
4ikkB-1um4H:
21.86
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.
1uun MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		5 LEU A  62
ALA A 164
LEU A 166
THR A 176
SER A   7
 None
 1.49A 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.
1vp2 PUTATIVE XANTHOSINE
TRIPHOSPHATE
PYROPHOSPHATASE/HAM1
PROTEIN HOMOLOG

(Thermotoga
maritima) 		PF01725
(Ham1p_like) 		4 ALA A  66
SER A 116
THR A 118
SER A 129
 None
 0.81A 4ikkA-1vp2A:
undetectable
4ikkB-1vp2A:
undetectable		 4ikkA-1vp2A:
20.48
4ikkB-1vp2A:
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.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		5 LEU A 261
ALA A 269
THR A 268
SER A 146
SER A 142
 SAM  A 301 (-4.1A)
None
None
None
None
 1.23A 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.
1y14 DNA-DIRECTED RNA
POLYMERASE II 32 KDA
POLYPEPTIDE

(Saccharomyces
cerevisiae) 		PF03874
(RNA_pol_Rpb4) 		4 LEU A 166
ALA A 162
THR A 159
SER A  53
 None
 0.97A 4ikkA-1y14A:
undetectable
4ikkB-1y14A:
undetectable		 4ikkA-1y14A:
18.78
4ikkB-1y14A:
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.
1ynq OXIDOREDUCTASE

(Bacillus
halodurans) 		PF00248
(Aldo_ket_red) 		4 LEU A 137
ALA A 133
THR A 130
SER A 163
 None
 0.92A 4ikkA-1ynqA:
undetectable
4ikkB-1ynqA:
undetectable		 4ikkA-1ynqA:
17.24
4ikkB-1ynqA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 LEU A 684
ALA A 649
LEU A 651
SER A 596
 None
 0.81A 4ikkA-1yr2A:
undetectable
4ikkB-1yr2A:
undetectable		 4ikkA-1yr2A:
11.34
4ikkB-1yr2A:
11.34
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.
1z7z HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		4 LYS 1  97
SER 1  86
THR 1  88
SER 1 251
 None
 0.83A 4ikkA-1z7z1:
undetectable
4ikkB-1z7z1:
undetectable		 4ikkA-1z7z1:
17.99
4ikkB-1z7z1:
17.99
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.
1znx GUANYLATE KINASE

(Mycobacterium
tuberculosis) 		PF00625
(Guanylate_kin) 		4 LEU A  87
ALA A 135
THR A 137
SER A  27
 None
 0.97A 4ikkA-1znxA:
undetectable
4ikkB-1znxA:
undetectable		 4ikkA-1znxA:
22.44
4ikkB-1znxA:
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.
2aa4 PUTATIVE
N-ACETYLMANNOSAMINE
KINASE

(Escherichia
coli) 		PF00480
(ROK) 		4 LEU A  30
ALA A  15
LEU A  13
SER A  63
 None
 0.77A 4ikkA-2aa4A:
undetectable
4ikkB-2aa4A:
undetectable		 4ikkA-2aa4A:
16.96
4ikkB-2aa4A:
16.96
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.
2ahn THAUMATIN-LIKE
PROTEIN

(Prunus avium) 		PF00314
(Thaumatin) 		4 ALA A 217
SER A 117
THR A 119
SER A 131
 None
 0.59A 4ikkA-2ahnA:
2.7
4ikkB-2ahnA:
undetectable		 4ikkA-2ahnA:
20.74
4ikkB-2ahnA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aj3 FAB M18, HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU B 124
ALA B 137
SER B 127
SER B 128
 None
 0.89A 4ikkA-2aj3B:
undetectable
4ikkB-2aj3B:
undetectable		 4ikkA-2aj3B:
20.63
4ikkB-2aj3B:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2akp ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 LEU A  42
THR A 171
SER A 138
SER A 140
 None
 0.93A 4ikkA-2akpA:
undetectable
4ikkB-2akpA:
undetectable		 4ikkA-2akpA:
20.94
4ikkB-2akpA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b7y FAVIN ALPHA CHAIN
FAVIN BETA CHAIN

(Vicia faba) 		PF00139
(Lectin_legB) 		4 ALA A 164
SER A 175
THR A 177
SER B 189
 None
 0.39A 4ikkA-2b7yA:
undetectable
4ikkB-2b7yA:
undetectable		 4ikkA-2b7yA:
21.43
4ikkB-2b7yA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bre ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 LEU A  42
THR A 171
SER A 138
SER A 140
 None
KJ2  A1214 (-4.0A)
None
None
 0.95A 4ikkA-2breA:
undetectable
4ikkB-2breA:
undetectable		 4ikkA-2breA:
20.83
4ikkB-2breA:
20.83
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.
2c2i RV0130

(Mycobacterium
tuberculosis) 		PF01575
(MaoC_dehydratas) 		4 LEU A  91
ALA A 143
THR A 129
SER A 110
 None
 0.75A 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.
2cd0 PROTEIN (BENCE-JONES
PROTEIN WIL, A
VARIABLE DOMAIN FROM
LAMBDA-6 TYPE
IMMUNOGLOBULIN LIGHT
CHAIN)

(Homo sapiens) 		PF07686
(V-set) 		4 SER A  22
THR A  24
SER A  70
SER A  72
 None
 0.98A 4ikkA-2cd0A:
3.7
4ikkB-2cd0A:
undetectable		 4ikkA-2cd0A:
21.09
4ikkB-2cd0A:
21.09
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.
2cg9 ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 LEU A  42
THR A 171
SER A 138
SER A 140
 None
ATP  A1678 (-3.9A)
None
None
 0.91A 4ikkA-2cg9A:
undetectable
4ikkB-2cg9A:
undetectable		 4ikkA-2cg9A:
11.16
4ikkB-2cg9A:
11.16
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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 LYS A  28
LEU A 254
LEU A  62
SER A  65
SER A  69
 None
 1.36A 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.
2d9c SIGNAL-REGULATORY
PROTEIN BETA-1

(Homo sapiens) 		PF07686
(V-set) 		4 SER A  25
THR A  27
SER A  82
SER A  84
 None
 0.92A 4ikkA-2d9cA:
2.9
4ikkB-2d9cA:
3.1		 4ikkA-2d9cA:
21.92
4ikkB-2d9cA:
21.92
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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 ALA A  39
LEU A  41
SER A 455
SER A 458
SER A 454
 None
None
None
None
HEA  A 515 ( 4.9A)
 1.30A 4ikkA-2eijA:
undetectable
4ikkB-2eijA:
undetectable		 4ikkA-2eijA:
13.11
4ikkB-2eijA:
13.11
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.
2fgw H52 FAB (HEAVY
CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H 135
ALA H 148
SER H 138
SER H 143
SER H 139
 None
 1.18A 4ikkA-2fgwH:
undetectable
4ikkB-2fgwH:
undetectable		 4ikkA-2fgwH:
20.79
4ikkB-2fgwH:
20.79
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.
2frx HYPOTHETICAL PROTEIN
YEBU

(Escherichia
coli) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N) 		4 ALA A 344
LEU A 405
THR A 345
SER A 407
 None
 0.95A 4ikkA-2frxA:
undetectable
4ikkB-2frxA:
undetectable		 4ikkA-2frxA:
17.16
4ikkB-2frxA:
17.16
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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		4 LEU A 166
ALA A 170
SER A 216
SER A 212
 None
 0.97A 4ikkA-2hp3A:
undetectable
4ikkB-2hp3A:
undetectable		 4ikkA-2hp3A:
15.76
4ikkB-2hp3A:
15.76
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.
2hr2 HYPOTHETICAL PROTEIN

(Chlorobaculum
tepidum) 		PF12968
(DUF3856) 		4 ALA A  82
LEU A  99
SER A 102
SER A 106
 None
None
GOL  A 159 (-2.8A)
GOL  A 159 ( 4.4A)
 0.97A 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
 0.97A 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.
2ifw SCYTALIDOPEPSIN B

(Scytalidium
lignicola) 		PF01828
(Peptidase_A4) 		4 SER A 102
THR A 104
SER A 115
SER A 117
 None
 0.55A 4ikkA-2ifwA:
undetectable
4ikkB-2ifwA:
undetectable		 4ikkA-2ifwA:
22.45
4ikkB-2ifwA:
22.45
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.
2ism PUTATIVE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF07995
(GSDH) 		4 LEU A 285
ALA A 283
SER A 219
SER A 218
 None
 0.96A 4ikkA-2ismA:
undetectable
4ikkB-2ismA:
undetectable		 4ikkA-2ismA:
16.02
4ikkB-2ismA:
16.02
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.
2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)

(Homo sapiens) 		no annotation 4 LEU A 163
SER A 188
THR A 161
SER A 160
 None
 0.90A 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
 1.45A 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.
2mak STROMAL INTERACTION
MOLECULE 1

(Homo sapiens) 		PF16533
(SOAR) 		5 LEU A 351
LEU A 347
SER A 339
SER A 337
SER A 340
 None
 1.38A 4ikkA-2makA:
undetectable
4ikkB-2makA:
undetectable		 4ikkA-2makA:
19.69
4ikkB-2makA:
19.69
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.
2no5 (S)-2-HALOACID
DEHALOGENASE IVA

(Burkholderia
cepacia) 		PF13419
(HAD_2) 		4 LEU A 143
ALA A 116
LEU A 118
SER A 176
 None
None
None
ASL  A  11 ( 4.0A)
 0.93A 4ikkA-2no5A:
undetectable
4ikkB-2no5A:
undetectable		 4ikkA-2no5A:
18.33
4ikkB-2no5A:
18.33
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.
2pia PHTHALATE
DIOXYGENASE
REDUCTASE

(Burkholderia
cepacia) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 ALA A 135
LEU A 133
SER A  63
SER A 128
 None
 0.97A 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.
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
 0.93A 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.
2pm9 PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 LEU A 274
LEU A 284
SER A 294
SER A 367
 None
 0.91A 4ikkA-2pm9A:
undetectable
4ikkB-2pm9A:
undetectable		 4ikkA-2pm9A:
15.38
4ikkB-2pm9A:
15.38
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.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		4 ALA A 150
SER A 216
THR A 218
SER A 262
 None
 0.55A 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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 LYS 1  54
ALA 1  38
LEU 1  36
SER 1  98
 None
 0.86A 4ikkA-2r6r1:
undetectable
4ikkB-2r6r1:
undetectable		 4ikkA-2r6r1:
18.71
4ikkB-2r6r1:
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.
2v9u MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		5 LEU A  62
ALA A 164
LEU A 166
THR A 176
SER A   7
 LEU  A  62 ( 0.5A)
ALA  A 164 ( 0.0A)
LEU  A 166 ( 0.5A)
THR  A 176 ( 0.8A)
SER  A   7 ( 0.0A)
 1.43A 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
 0.98A 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.
2vk2 ABC TRANSPORTER
PERIPLASMIC-BINDING
PROTEIN YTFQ

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		4 LEU A 134
SER A 225
THR A 223
SER A 244
 None
 0.79A 4ikkA-2vk2A:
undetectable
4ikkB-2vk2A:
undetectable		 4ikkA-2vk2A:
18.82
4ikkB-2vk2A:
18.82
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.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		4 LYS A 489
ALA A 490
THR A 453
SER A 455
 None
 0.93A 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
 0.84A 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.
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
 0.98A 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.
2x5n 26S PROTEASOME
REGULATORY SUBUNIT
RPN10

(Schizosaccharomyces
pombe) 		PF13519
(VWA_2) 		4 ALA A 160
SER A 162
SER A 165
SER A 163
 None
 0.91A 4ikkA-2x5nA:
undetectable
4ikkB-2x5nA:
undetectable		 4ikkA-2x5nA:
22.16
4ikkB-2x5nA:
22.16
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		4 LEU A 297
ALA A 123
THR A 148
SER A 154
 None
 0.91A 4ikkA-2x98A:
undetectable
4ikkB-2x98A:
undetectable		 4ikkA-2x98A:
13.71
4ikkB-2x98A:
13.71
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.
2xa8 OMALIZUMAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H 132
ALA H 145
SER H 135
SER H 136
 None
 0.89A 4ikkA-2xa8H:
undetectable
4ikkB-2xa8H:
undetectable		 4ikkA-2xa8H:
20.63
4ikkB-2xa8H:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 LEU A 369
ALA A 402
LEU A 414
SER A 473
 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.
2xpi ANAPHASE-PROMOTING
COMPLEX SUBUNIT CUT9

(Schizosaccharomyces
pombe) 		PF12895
(ANAPC3)
PF13181
(TPR_8)
PF13424
(TPR_12) 		4 LEU A 503
LEU A 504
SER A 510
SER A 319
 None
 0.96A 4ikkA-2xpiA:
undetectable
4ikkB-2xpiA:
undetectable		 4ikkA-2xpiA:
12.61
4ikkB-2xpiA:
12.61
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.
2xra HK20, HUMAN
MONOCLONAL ANTIBODY
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H 124
ALA H 137
SER H 127
SER H 128
 None
 0.84A 4ikkA-2xraH:
undetectable
4ikkB-2xraH:
undetectable		 4ikkA-2xraH:
22.83
4ikkB-2xraH:
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.
2xtj FAB FROM A HUMAN
MONOCLONAL ANTIBODY,
1D05

(Homo sapiens) 		PF07654
(C1-set) 		4 LEU E 142
ALA E 155
SER E 145
SER E 146
 None
 0.95A 4ikkA-2xtjE:
undetectable
4ikkB-2xtjE:
undetectable		 4ikkA-2xtjE:
20.15
4ikkB-2xtjE:
20.15
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.
2xyb LACCASE

(Trametes
cinnabarina) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 174
LEU A 170
SER A 168
THR A 177
SER A 166
 None
 1.49A 4ikkA-2xybA:
undetectable
4ikkB-2xybA:
undetectable		 4ikkA-2xybA:
13.33
4ikkB-2xybA:
13.33
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.
2y24 XYLANASE

(Dickeya
chrysanthemi) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 ALA A 351
SER A 406
SER A 377
SER A 379
 None
 0.95A 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.
2y24 XYLANASE

(Dickeya
chrysanthemi) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 ALA A 351
THR A 408
SER A 377
SER A 379
 None
 0.81A 4ikkA-2y24A:
undetectable
4ikkB-2y24A:
undetectable		 4ikkA-2y24A:
15.79
4ikkB-2y24A:
15.79