SIMILAR PATTERNS OF AMINO ACIDS FOR 4IKJ_B_SUZB201

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.
1a5f MONOCLONAL
ANTI-E-SELECTIN 7A9
ANTIBODY (HEAVY
CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H   7
SER H  21
LYS H  38
THR H 114
 None
 1.00A 4ikjA-1a5fH:
0.3
4ikjB-1a5fH:
0.4		 4ikjA-1a5fH:
21.33
4ikjB-1a5fH:
21.33
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.
1a87 COLICIN N

(Escherichia
coli) 		PF01024
(Colicin) 		4 SER A 367
ALA A 245
LEU A 247
SER A 368
 None
 0.89A 4ikjA-1a87A:
undetectable
4ikjB-1a87A:
undetectable		 4ikjA-1a87A:
18.99
4ikjB-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 SER A 443
LEU A 465
ALA A 451
LEU A 449
 None
 0.86A 4ikjA-1b2hA:
undetectable
4ikjB-1b2hA:
undetectable		 4ikjA-1b2hA:
13.15
4ikjB-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 SER H 134
SER H 219
LEU H 128
ALA H 141
SER H 131
 None
 1.19A 4ikjA-1b2wH:
1.9
4ikjB-1b2wH:
2.3		 4ikjA-1b2wH:
19.91
4ikjB-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 SER A 280
SER A 278
LEU A 284
ALA A 244
LEU A 283
 None
 1.15A 4ikjA-1bg4A:
undetectable
4ikjB-1bg4A:
undetectable		 4ikjA-1bg4A:
17.06
4ikjB-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 SER A 121
ALA A  41
LEU A  43
SER A 117
 None
HEM  A 400 (-3.5A)
None
None
 0.99A 4ikjA-1bgpA:
undetectable
4ikjB-1bgpA:
undetectable		 4ikjA-1bgpA:
16.88
4ikjB-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.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 LEU A 561
ALA A 546
SER A 529
THR A 527
 None
 0.69A 4ikjA-1e8tA:
0.0
4ikjB-1e8tA:
0.0		 4ikjA-1e8tA:
15.56
4ikjB-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)
 0.83A 4ikjA-1f80A:
0.0
4ikjB-1f80A:
undetectable		 4ikjA-1f80A:
24.24
4ikjB-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 SER A 181
SER A 183
ALA A 218
SER A 191
 None
 0.62A 4ikjA-1fcpA:
0.0
4ikjB-1fcpA:
0.3		 4ikjA-1fcpA:
10.68
4ikjB-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 506
ALA A 563
LEU A 565
THR A 576
 None
 0.62A 4ikjA-1g0dA:
0.3
4ikjB-1g0dA:
0.1		 4ikjA-1g0dA:
14.08
4ikjB-1g0dA:
14.08
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) 		5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
 None
 0.69A 4ikjA-1gkeA:
21.6
4ikjB-1gkeA:
20.4		 4ikjA-1gkeA:
83.33
4ikjB-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
 0.83A 4ikjA-1h4uA:
undetectable
4ikjB-1h4uA:
undetectable		 4ikjA-1h4uA:
18.80
4ikjB-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 SER P   6
LEU P 401
ALA P 403
SER P   5
 None
 0.81A 4ikjA-1h71P:
undetectable
4ikjB-1h71P:
undetectable		 4ikjA-1h71P:
16.93
4ikjB-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.
1idm 3-ISOPROPYLMALATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		4 SER A 259
SER A 257
LEU A   6
LEU A  69
 None
 0.91A 4ikjA-1idmA:
undetectable
4ikjB-1idmA:
undetectable		 4ikjA-1idmA:
18.08
4ikjB-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 4ikjA-1j0aA:
undetectable
4ikjB-1j0aA:
undetectable		 4ikjA-1j0aA:
19.46
4ikjB-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 4ikjA-1j1wA:
undetectable
4ikjB-1j1wA:
undetectable		 4ikjA-1j1wA:
10.31
4ikjB-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.
1jl0 S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME

(Homo sapiens) 		PF01536
(SAM_decarbox) 		4 SER A 312
LEU A 177
LEU A 284
THR A 323
 None
 0.76A 4ikjA-1jl0A:
undetectable
4ikjB-1jl0A:
undetectable		 4ikjA-1jl0A:
19.41
4ikjB-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.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		4 LYS A 361
LEU A 357
ALA A 360
THR A 352
 None
 0.91A 4ikjA-1jmyA:
undetectable
4ikjB-1jmyA:
undetectable		 4ikjA-1jmyA:
12.64
4ikjB-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.
1jxn ANTI-H(O) LECTIN I

(Ulex europaeus) 		PF00139
(Lectin_legB) 		4 SER A 193
SER A 195
SER A 184
THR A 186
 None
 0.77A 4ikjA-1jxnA:
undetectable
4ikjB-1jxnA:
undetectable		 4ikjA-1jxnA:
19.82
4ikjB-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
 0.89A 4ikjA-1k25A:
undetectable
4ikjB-1k25A:
undetectable		 4ikjA-1k25A:
10.80
4ikjB-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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 SER A 194
SER A 245
LEU A 203
ALA A 199
THR A 196
 None
 1.31A 4ikjA-1kq3A:
undetectable
4ikjB-1kq3A:
undetectable		 4ikjA-1kq3A:
14.97
4ikjB-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 4ikjA-1l5jA:
undetectable
4ikjB-1l5jA:
undetectable		 4ikjA-1l5jA:
8.33
4ikjB-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 SER A 200
SER A 198
ALA A  25
THR A  13
 None
 0.95A 4ikjA-1lcsA:
undetectable
4ikjB-1lcsA:
undetectable		 4ikjA-1lcsA:
20.66
4ikjB-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 SER A  86
LEU A  79
ALA A  93
LEU A  82
 None
 0.79A 4ikjA-1lrvA:
undetectable
4ikjB-1lrvA:
undetectable		 4ikjA-1lrvA:
18.70
4ikjB-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.
1mhm S-ADENOSYLMETHIONINE
DECARBOXYLASE

(Solanum
tuberosum) 		PF01536
(SAM_decarbox) 		4 SER A 246
LEU A 293
LEU A 184
SER A 263
 None
 0.84A 4ikjA-1mhmA:
undetectable
4ikjB-1mhmA:
undetectable		 4ikjA-1mhmA:
21.98
4ikjB-1mhmA:
21.98
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.
1mk7 TALIN

(Gallus gallus) 		PF00373
(FERM_M)
PF02174
(IRS) 		4 SER B 379
ALA B 360
SER B 365
THR B 367
 None
 0.37A 4ikjA-1mk7B:
undetectable
4ikjB-1mk7B:
undetectable		 4ikjA-1mk7B:
22.49
4ikjB-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
 0.98A 4ikjA-1nigA:
undetectable
4ikjB-1nigA:
undetectable		 4ikjA-1nigA:
17.09
4ikjB-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.
1psy 2S ALBUMIN

(Ricinus
communis) 		PF00234
(Tryp_alpha_amyl) 		4 SER A  29
LYS A  83
ALA A  86
LEU A  27
 None
 0.94A 4ikjA-1psyA:
undetectable
4ikjB-1psyA:
undetectable		 4ikjA-1psyA:
18.92
4ikjB-1psyA:
18.92
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.
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 4ikjA-1qgjA:
undetectable
4ikjB-1qgjA:
undetectable		 4ikjA-1qgjA:
20.38
4ikjB-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 SER A 213
LYS A 201
LEU A 197
ALA A 200
THR A 210
 None
 1.32A 4ikjA-1qh5A:
undetectable
4ikjB-1qh5A:
undetectable		 4ikjA-1qh5A:
19.47
4ikjB-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.
1qmo MANNOSE BINDING
LECTIN, FRIL

(Lablab
purpureus) 		PF00139
(Lectin_legB) 		4 SER A   5
SER A   7
SER E 240
THR E 242
 None
 0.74A 4ikjA-1qmoA:
undetectable
4ikjB-1qmoA:
undetectable		 4ikjA-1qmoA:
21.09
4ikjB-1qmoA:
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.
1qq6 PROTEIN
(L-2-HALOACID
DEHALOGENASE)

(Xanthobacter
autotrophicus) 		PF00702
(Hydrolase) 		4 SER A 172
LEU A 113
ALA A 180
SER A 171
 ASB  A   8 ( 4.8A)
None
None
ASB  A   8 ( 2.8A)
 0.95A 4ikjA-1qq6A:
undetectable
4ikjB-1qq6A:
undetectable		 4ikjA-1qq6A:
19.28
4ikjB-1qq6A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT

(Pseudomonas
putida) 		PF00676
(E1_dh)
PF12573
(OxoDH_E1alpha_N) 		4 SER A  51
LEU A 237
LEU A 301
SER A 271
 None
 0.91A 4ikjA-1qs0A:
undetectable
4ikjB-1qs0A:
undetectable		 4ikjA-1qs0A:
15.19
4ikjB-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 SER A   4
ALA A  51
SER A  77
THR A  79
 None
 0.88A 4ikjA-1rgwA:
undetectable
4ikjB-1rgwA:
undetectable		 4ikjA-1rgwA:
17.42
4ikjB-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
 0.87A 4ikjA-1sb3B:
undetectable
4ikjB-1sb3B:
undetectable		 4ikjA-1sb3B:
16.72
4ikjB-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
 0.44A 4ikjA-1sn2A:
20.4
4ikjB-1sn2A:
20.8		 4ikjA-1sn2A:
54.62
4ikjB-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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		4 SER A 171
LEU A 181
ALA A 178
LEU A 176
 None
 0.81A 4ikjA-1su7A:
undetectable
4ikjB-1su7A:
undetectable		 4ikjA-1su7A:
11.95
4ikjB-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 SER A 115
ALA A 294
SER A  41
THR A  43
 None
 0.92A 4ikjA-1t1eA:
undetectable
4ikjB-1t1eA:
undetectable		 4ikjA-1t1eA:
14.40
4ikjB-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 SER A 143
LEU A 152
ALA A 149
LEU A 147
 None
 0.94A 4ikjA-1t4bA:
undetectable
4ikjB-1t4bA:
undetectable		 4ikjA-1t4bA:
19.18
4ikjB-1t4bA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1te4 CONSERVED PROTEIN
MTH187

(Methanothermobacter
thermautotrophicus) 		PF13646
(HEAT_2) 		4 SER A  66
LEU A  58
ALA A  74
LEU A  61
 None
 0.94A 4ikjA-1te4A:
undetectable
4ikjB-1te4A:
undetectable		 4ikjA-1te4A:
20.42
4ikjB-1te4A:
20.42
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 4ikjA-1tfpA:
19.7
4ikjB-1tfpA:
19.1		 4ikjA-1tfpA:
73.85
4ikjB-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 SER A 129
SER A 127
ALA A 381
SER A 126
 None
2MD  A 799 (-3.4A)
None
None
 0.64A 4ikjA-1tmoA:
undetectable
4ikjB-1tmoA:
undetectable		 4ikjA-1tmoA:
11.32
4ikjB-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.
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 4ikjA-1urdA:
undetectable
4ikjB-1urdA:
undetectable		 4ikjA-1urdA:
16.53
4ikjB-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.
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 4ikjA-1v4aA:
undetectable
4ikjB-1v4aA:
undetectable		 4ikjA-1v4aA:
13.57
4ikjB-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.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		5 SER A 146
SER A 142
LEU A 261
ALA A 269
THR A 268
 None
None
SAM  A 301 (-4.1A)
None
None
 1.28A 4ikjA-1x7pA:
undetectable
4ikjB-1x7pA:
undetectable		 4ikjA-1x7pA:
16.67
4ikjB-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.
1ynq OXIDOREDUCTASE

(Bacillus
halodurans) 		PF00248
(Aldo_ket_red) 		4 SER A 163
LEU A 137
ALA A 133
THR A 130
 None
 0.92A 4ikjA-1ynqA:
undetectable
4ikjB-1ynqA:
undetectable		 4ikjA-1ynqA:
17.24
4ikjB-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.
1z7z HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		4 SER 1 251
LYS 1  97
SER 1  86
THR 1  88
 None
 0.95A 4ikjA-1z7z1:
undetectable
4ikjB-1z7z1:
undetectable		 4ikjA-1z7z1:
17.99
4ikjB-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.
1zwm GAMMA CRYSTALLIN S

(Mus musculus) 		PF00030
(Crystall) 		4 SER A  81
SER A  55
LEU A 150
ALA A  47
 None
 0.94A 4ikjA-1zwmA:
undetectable
4ikjB-1zwmA:
undetectable		 4ikjA-1zwmA:
19.35
4ikjB-1zwmA:
19.35
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.
1zxo CONSERVED
HYPOTHETICAL PROTEIN
Q8A1P1

(Bacteroides
thetaiotaomicron) 		no annotation 4 SER A 118
ALA A 195
SER A 144
THR A 116
 None
 0.99A 4ikjA-1zxoA:
undetectable
4ikjB-1zxoA:
undetectable		 4ikjA-1zxoA:
19.65
4ikjB-1zxoA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ahn THAUMATIN-LIKE
PROTEIN

(Prunus avium) 		PF00314
(Thaumatin) 		4 SER A 131
ALA A 217
SER A 117
THR A 119
 None
 0.56A 4ikjA-2ahnA:
2.7
4ikjB-2ahnA:
1.8		 4ikjA-2ahnA:
20.74
4ikjB-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 SER B 128
LEU B 124
ALA B 137
SER B 127
 None
 1.00A 4ikjA-2aj3B:
3.6
4ikjB-2aj3B:
undetectable		 4ikjA-2aj3B:
20.63
4ikjB-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 SER A 138
SER A 140
LEU A  42
THR A 171
 None
 0.88A 4ikjA-2akpA:
undetectable
4ikjB-2akpA:
undetectable		 4ikjA-2akpA:
20.94
4ikjB-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 SER B 189
ALA A 164
SER A 175
THR A 177
 None
 0.34A 4ikjA-2b7yB:
undetectable
4ikjB-2b7yB:
undetectable		 4ikjA-2b7yB:
16.41
4ikjB-2b7yB:
16.41
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.
2bre ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 SER A 138
SER A 140
LEU A  42
THR A 171
 None
None
None
KJ2  A1214 (-4.0A)
 0.91A 4ikjA-2breA:
undetectable
4ikjB-2breA:
undetectable		 4ikjA-2breA:
20.83
4ikjB-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 SER A 110
LEU A  91
ALA A 143
THR A 129
 None
 0.69A 4ikjA-2c2iA:
undetectable
4ikjB-2c2iA:
undetectable		 4ikjA-2c2iA:
23.03
4ikjB-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.
2cg9 ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 SER A 138
SER A 140
LEU A  42
THR A 171
 None
None
None
ATP  A1678 (-3.9A)
 0.85A 4ikjA-2cg9A:
undetectable
4ikjB-2cg9A:
undetectable		 4ikjA-2cg9A:
11.16
4ikjB-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 SER A  69
LYS A  28
LEU A 254
LEU A  62
SER A  65
 None
 1.34A 4ikjA-2csdA:
undetectable
4ikjB-2csdA:
undetectable		 4ikjA-2csdA:
13.15
4ikjB-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  82
SER A  84
SER A  25
THR A  27
 None
 0.76A 4ikjA-2d9cA:
undetectable
4ikjB-2d9cA:
3.0		 4ikjA-2d9cA:
21.92
4ikjB-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 SER A 458
SER A 454
ALA A  39
LEU A  41
SER A 455
 None
HEA  A 515 ( 4.9A)
None
None
None
 1.33A 4ikjA-2eijA:
undetectable
4ikjB-2eijA:
undetectable		 4ikjA-2eijA:
13.11
4ikjB-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.
2frx HYPOTHETICAL PROTEIN
YEBU

(Escherichia
coli) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N) 		4 SER A 407
ALA A 344
LEU A 405
THR A 345
 None
 1.01A 4ikjA-2frxA:
undetectable
4ikjB-2frxA:
undetectable		 4ikjA-2frxA:
17.16
4ikjB-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 SER A 103
ALA A  36
SER A 102
THR A  33
 None
 1.01A 4ikjA-2hp3A:
undetectable
4ikjB-2hp3A:
undetectable		 4ikjA-2hp3A:
15.76
4ikjB-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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		4 SER A 216
SER A 212
LEU A 166
ALA A 170
 None
 0.98A 4ikjA-2hp3A:
undetectable
4ikjB-2hp3A:
undetectable		 4ikjA-2hp3A:
15.76
4ikjB-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 SER A 106
ALA A  82
LEU A  99
SER A 102
 GOL  A 159 ( 4.4A)
None
None
GOL  A 159 (-2.8A)
 0.97A 4ikjA-2hr2A:
undetectable
4ikjB-2hr2A:
undetectable		 4ikjA-2hr2A:
24.05
4ikjB-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.
2hv2 HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 SER A 206
LEU A 231
ALA A 210
SER A 205
 None
 0.97A 4ikjA-2hv2A:
undetectable
4ikjB-2hv2A:
undetectable		 4ikjA-2hv2A:
16.62
4ikjB-2hv2A:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6v GENERAL SECRETION
PATHWAY PROTEIN C

(Vibrio cholerae) 		no annotation 4 LEU A 267
ALA A 263
SER A 289
THR A 291
 None
 0.93A 4ikjA-2i6vA:
undetectable
4ikjB-2i6vA:
undetectable		 4ikjA-2i6vA:
17.32
4ikjB-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.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		4 SER A 337
SER A 334
LYS A 365
ALA A 364
 None
 0.91A 4ikjA-2i7tA:
undetectable
4ikjB-2i7tA:
undetectable		 4ikjA-2i7tA:
12.34
4ikjB-2i7tA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2igt SAM DEPENDENT
METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF10672
(Methyltrans_SAM) 		4 LEU A  16
LEU A 282
SER A 301
THR A 251
 ACY  A1010 (-4.9A)
None
None
None
 0.78A 4ikjA-2igtA:
undetectable
4ikjB-2igtA:
undetectable		 4ikjA-2igtA:
17.95
4ikjB-2igtA:
17.95
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.
2ism PUTATIVE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF07995
(GSDH) 		4 SER A 218
LEU A 285
ALA A 283
SER A 219
 None
 0.95A 4ikjA-2ismA:
undetectable
4ikjB-2ismA:
undetectable		 4ikjA-2ismA:
16.02
4ikjB-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 SER A 160
LEU A 163
SER A 188
THR A 161
 None
 0.91A 4ikjA-2jdxA:
undetectable
4ikjB-2jdxA:
undetectable		 4ikjA-2jdxA:
14.62
4ikjB-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.
2jgs CIRCULAR PERMUTANT
OF AVIDIN

(Gallus gallus) 		PF01382
(Avidin) 		4 SER A  59
LYS A   4
SER A  33
THR A  35
 None
None
BTN  A1001 (-2.5A)
BTN  A1001 (-3.5A)
 0.95A 4ikjA-2jgsA:
undetectable
4ikjB-2jgsA:
undetectable		 4ikjA-2jgsA:
21.74
4ikjB-2jgsA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4ikjA-2jisA:
undetectable
4ikjB-2jisA:
undetectable		 4ikjA-2jisA:
12.97
4ikjB-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 SER A 337
SER A 340
LEU A 351
LEU A 347
SER A 339
 None
 1.42A 4ikjA-2makA:
undetectable
4ikjB-2makA:
undetectable		 4ikjA-2makA:
19.69
4ikjB-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.
2nc8 LIPOPROTEIN LPPM

(Mycobacterium
tuberculosis) 		no annotation 4 SER A  41
ALA A 142
SER A  35
THR A  33
 None
 1.00A 4ikjA-2nc8A:
undetectable
4ikjB-2nc8A:
undetectable		 4ikjA-2nc8A:
22.04
4ikjB-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.
2no5 (S)-2-HALOACID
DEHALOGENASE IVA

(Burkholderia
cepacia) 		PF13419
(HAD_2) 		4 SER A 176
LEU A 143
ALA A 116
LEU A 118
 ASL  A  11 ( 4.0A)
None
None
None
 0.82A 4ikjA-2no5A:
undetectable
4ikjB-2no5A:
undetectable		 4ikjA-2no5A:
18.33
4ikjB-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.
2o78 PUTATIVE HISTIDINE
AMMONIA-LYASE

(Rhodobacter
sphaeroides) 		PF00221
(Lyase_aromatic) 		4 SER A 143
LEU A 161
ALA A 157
THR A 154
 None
 1.00A 4ikjA-2o78A:
undetectable
4ikjB-2o78A:
undetectable		 4ikjA-2o78A:
12.57
4ikjB-2o78A:
12.57
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 SER A 297
LEU A 609
SER A 296
THR A 306
 None
 0.98A 4ikjA-2o7qA:
undetectable
4ikjB-2o7qA:
undetectable		 4ikjA-2o7qA:
12.82
4ikjB-2o7qA:
12.82
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.
2pfc HYPOTHETICAL PROTEIN
RV0098/MT0107

(Mycobacterium
tuberculosis) 		PF10862
(FcoT) 		4 LEU A 141
LEU A  54
SER A  47
THR A  49
 None
 0.83A 4ikjA-2pfcA:
undetectable
4ikjB-2pfcA:
undetectable		 4ikjA-2pfcA:
18.85
4ikjB-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
 0.98A 4ikjA-2piaA:
undetectable
4ikjB-2piaA:
undetectable		 4ikjA-2piaA:
18.04
4ikjB-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 SER A  63
SER A 128
ALA A 135
LEU A 133
 None
 0.96A 4ikjA-2piaA:
undetectable
4ikjB-2piaA:
undetectable		 4ikjA-2piaA:
18.04
4ikjB-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 SER A 367
LEU A 274
LEU A 284
SER A 294
 None
 0.97A 4ikjA-2pm9A:
undetectable
4ikjB-2pm9A:
undetectable		 4ikjA-2pm9A:
15.38
4ikjB-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.
2pop MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE
7-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF00481
(PP2C) 		4 SER A  27
LYS A 192
LEU A 190
LEU A 285
 None
 0.85A 4ikjA-2popA:
undetectable
4ikjB-2popA:
undetectable		 4ikjA-2popA:
17.56
4ikjB-2popA:
17.56
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.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		4 SER A 262
ALA A 150
SER A 216
THR A 218
 None
 0.52A 4ikjA-2qp2A:
undetectable
4ikjB-2qp2A:
undetectable		 4ikjA-2qp2A:
13.13
4ikjB-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
 0.99A 4ikjA-2qq6A:
undetectable
4ikjB-2qq6A:
undetectable		 4ikjA-2qq6A:
15.62
4ikjB-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.
2rhe BENCE-JONES PROTEIN
RHE (LIGHT CHAIN)

(Homo sapiens) 		PF07686
(V-set) 		4 SER A  71
SER A  73
SER A  21
THR A  23
 None
 0.87A 4ikjA-2rheA:
3.6
4ikjB-2rheA:
undetectable		 4ikjA-2rheA:
23.88
4ikjB-2rheA:
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		4 SER A 396
LEU A 222
LEU A 225
THR A 399
 None
 0.99A 4ikjA-2v8nA:
undetectable
4ikjB-2v8nA:
undetectable		 4ikjA-2v8nA:
14.46
4ikjB-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.
2vk2 ABC TRANSPORTER
PERIPLASMIC-BINDING
PROTEIN YTFQ

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		4 SER A 244
LEU A 134
SER A 225
THR A 223
 None
 0.73A 4ikjA-2vk2A:
undetectable
4ikjB-2vk2A:
undetectable		 4ikjA-2vk2A:
18.82
4ikjB-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 SER A 455
LYS A 489
ALA A 490
THR A 453
 None
 0.87A 4ikjA-2vwbA:
undetectable
4ikjB-2vwbA:
undetectable		 4ikjA-2vwbA:
11.80
4ikjB-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
 0.90A 4ikjA-2w6dA:
undetectable
4ikjB-2w6dA:
undetectable		 4ikjA-2w6dA:
12.22
4ikjB-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.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		4 SER J 410
LEU J 444
ALA J 442
LEU J 407
 None
 1.01A 4ikjA-2wp8J:
undetectable
4ikjB-2wp8J:
undetectable		 4ikjA-2wp8J:
8.68
4ikjB-2wp8J:
8.68
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.
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 4ikjA-2wuaA:
undetectable
4ikjB-2wuaA:
undetectable		 4ikjA-2wuaA:
14.75
4ikjB-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.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		4 SER A 220
SER A 218
LEU A 211
ALA A 248
 None
 0.99A 4ikjA-2wyxA:
undetectable
4ikjB-2wyxA:
undetectable		 4ikjA-2wyxA:
18.88
4ikjB-2wyxA:
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.
2x5n 26S PROTEASOME
REGULATORY SUBUNIT
RPN10

(Schizosaccharomyces
pombe) 		PF13519
(VWA_2) 		4 SER A 165
SER A 163
ALA A 160
SER A 162
 None
 0.92A 4ikjA-2x5nA:
undetectable
4ikjB-2x5nA:
undetectable		 4ikjA-2x5nA:
22.16
4ikjB-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 SER A 154
LEU A 297
ALA A 123
THR A 148
 None
 0.90A 4ikjA-2x98A:
undetectable
4ikjB-2x98A:
undetectable		 4ikjA-2x98A:
13.71
4ikjB-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 SER H 136
LEU H 132
ALA H 145
SER H 135
 None
 0.95A 4ikjA-2xa8H:
undetectable
4ikjB-2xa8H:
undetectable		 4ikjA-2xa8H:
20.63
4ikjB-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.
2xra HK20, HUMAN
MONOCLONAL ANTIBODY
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER H 128
LEU H 124
ALA H 137
SER H 127
 None
 0.84A 4ikjA-2xraH:
3.4
4ikjB-2xraH:
undetectable		 4ikjA-2xraH:
22.83
4ikjB-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.
2y24 XYLANASE

(Dickeya
chrysanthemi) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 SER A 377
SER A 379
ALA A 351
SER A 406
THR A 408
 None
 0.90A 4ikjA-2y24A:
undetectable
4ikjB-2y24A:
undetectable		 4ikjA-2y24A:
15.79
4ikjB-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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		4 SER A 947
LYS A 406
ALA A 407
LEU A 952
 None
 0.93A 4ikjA-2yocA:
undetectable
4ikjB-2yocA:
undetectable		 4ikjA-2yocA:
8.82
4ikjB-2yocA:
8.82
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		4 SER A  78
ALA A  32
LEU A  83
THR A  29
 None
 0.85A 4ikjA-2z0jA:
undetectable
4ikjB-2z0jA:
undetectable		 4ikjA-2z0jA:
19.40
4ikjB-2z0jA:
19.40
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.
2zat DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 4

(Sus scrofa) 		PF13561
(adh_short_C2) 		5 SER A 151
LEU A 174
LEU A 171
SER A 150
THR A 249
 NAP  A1261 ( 3.4A)
None
None
None
None
 1.33A 4ikjA-2zatA:
undetectable
4ikjB-2zatA:
undetectable		 4ikjA-2zatA:
19.54
4ikjB-2zatA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		4 LYS A 549
LEU A 544
SER A 643
THR A 640
 None
 0.90A 4ikjA-3aibA:
undetectable
4ikjB-3aibA:
undetectable		 4ikjA-3aibA:
9.52
4ikjB-3aibA:
9.52