SIMILAR PATTERNS OF AMINO ACIDS FOR 3CFQ_B_DIFB1_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bgp BARLEY GRAIN
PEROXIDASE

(Hordeum vulgare) 		PF00141
(peroxidase) 		4 SER A 121
ALA A  41
LEU A  43
SER A 117
 None
HEM  A 400 (-3.5A)
None
None
 1.00A 3cfqA-1bgpA:
undetectable
3cfqB-1bgpA:
undetectable		 3cfqA-1bgpA:
16.84
3cfqB-1bgpA:
16.84
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.
1e6b GLUTATHIONE
S-TRANSFERASE

(Arabidopsis
thaliana) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		4 LEU A 147
ALA A 159
LEU A 150
THR A 160
 None
None
None
BME  A 389 ( 4.9A)
 0.99A 3cfqA-1e6bA:
undetectable
3cfqB-1e6bA:
undetectable		 3cfqA-1e6bA:
19.07
3cfqB-1e6bA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3cfqA-1f80A:
undetectable
3cfqB-1f80A:
undetectable		 3cfqA-1f80A:
19.40
3cfqB-1f80A:
19.40
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
 0.62A 3cfqA-1gkeA:
22.1
3cfqB-1gkeA:
21.0		 3cfqA-1gkeA:
83.05
3cfqB-1gkeA:
83.05
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.
1gut MOLYBDATE BINDING
PROTEIN II

(Clostridium
pasteurianum) 		PF03459
(TOBE) 		4 LYS A  18
LEU A  16
ALA A  23
SER A  37
 None
 0.95A 3cfqA-1gutA:
undetectable
3cfqB-1gutA:
undetectable		 3cfqA-1gutA:
21.67
3cfqB-1gutA:
21.67
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.
1h4u NIDOGEN-1

(Mus musculus) 		PF07474
(G2F) 		4 SER A 430
LEU A 623
SER A 439
THR A 441
 None
 0.79A 3cfqA-1h4uA:
undetectable
3cfqB-1h4uA:
undetectable		 3cfqA-1h4uA:
19.28
3cfqB-1h4uA:
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.
1hju BETA-1,4-GALACTANASE

(Thermothelomyces
thermophila) 		PF07745
(Glyco_hydro_53) 		5 LEU A 120
ALA A 116
LEU A 169
SER A 167
THR A 113
 None
 1.21A 3cfqA-1hjuA:
undetectable
3cfqB-1hjuA:
undetectable		 3cfqA-1hjuA:
19.93
3cfqB-1hjuA:
19.93
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.
1i36 CONSERVED
HYPOTHETICAL PROTEIN
MTH1747

(Methanothermobacter
thermautotrophicus) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		4 LEU A 183
ALA A 179
LEU A 185
THR A 176
 None
 0.89A 3cfqA-1i36A:
undetectable
3cfqB-1i36A:
undetectable		 3cfqA-1i36A:
21.30
3cfqB-1i36A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1igo FAMILY 11 XYLANASE

(Bacillus
subtilis) 		PF00457
(Glyco_hydro_11) 		4 SER A  80
LYS A  21
LEU A  19
ALA A  46
 None
 1.04A 3cfqA-1igoA:
undetectable
3cfqB-1igoA:
undetectable		 3cfqA-1igoA:
20.57
3cfqB-1igoA:
20.57
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		4 LEU A  94
ALA A  90
LEU A  96
THR A  87
 None
 0.82A 3cfqA-1j0aA:
undetectable
3cfqB-1j0aA:
undetectable		 3cfqA-1j0aA:
18.12
3cfqB-1j0aA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		4 LEU A 577
ALA A  78
SER A 573
THR A  75
 None
 1.04A 3cfqA-1j1wA:
undetectable
3cfqB-1j1wA:
undetectable		 3cfqA-1j1wA:
9.57
3cfqB-1j1wA:
9.57
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.
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
 0.86A 3cfqA-1k25A:
undetectable
3cfqB-1k25A:
undetectable		 3cfqA-1k25A:
10.36
3cfqB-1k25A:
10.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.80A 3cfqA-1l5jA:
undetectable
3cfqB-1l5jA:
undetectable		 3cfqA-1l5jA:
7.50
3cfqB-1l5jA:
7.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lli PROTEIN (LAMBDA
REPRESSOR)

(Escherichia
virus Lambda) 		PF01381
(HTH_3) 		4 SER A  77
LYS A  67
LEU A  64
ALA A  66
 None
 1.03A 3cfqA-1lliA:
undetectable
3cfqB-1lliA:
undetectable		 3cfqA-1lliA:
20.77
3cfqB-1lliA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mk7 TALIN

(Gallus gallus) 		PF00373
(FERM_M)
PF02174
(IRS) 		4 SER B 379
ALA B 360
SER B 365
THR B 367
 None
 0.58A 3cfqA-1mk7B:
undetectable
3cfqB-1mk7B:
undetectable		 3cfqA-1mk7B:
22.00
3cfqB-1mk7B:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nig HYPOTHETICAL PROTEIN
TA1238

(Thermoplasma
acidophilum) 		PF09155
(DUF1940) 		4 SER A 109
ALA A  29
LEU A 102
SER A 105
 None
 0.95A 3cfqA-1nigA:
undetectable
3cfqB-1nigA:
undetectable		 3cfqA-1nigA:
21.29
3cfqB-1nigA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 4 LEU B 344
ALA B 341
LEU B 339
THR B 102
 None
 1.00A 3cfqA-1p3wB:
undetectable
3cfqB-1p3wB:
undetectable		 3cfqA-1p3wB:
15.46
3cfqB-1p3wB:
15.46
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.
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
 0.97A 3cfqA-1qgjA:
undetectable
3cfqB-1qgjA:
undetectable		 3cfqA-1qgjA:
20.80
3cfqB-1qgjA:
20.80
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.
1rgw ZASP PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 SER A   4
ALA A  51
SER A  77
THR A  79
 None
 0.98A 3cfqA-1rgwA:
undetectable
3cfqB-1rgwA:
undetectable		 3cfqA-1rgwA:
17.80
3cfqB-1rgwA:
17.80
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.
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
 0.83A 3cfqA-1sb3B:
undetectable
3cfqB-1sb3B:
undetectable		 3cfqA-1sb3B:
17.08
3cfqB-1sb3B:
17.08
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.
1sbz PROBABLE AROMATIC
ACID DECARBOXYLASE

(Escherichia
coli) 		PF02441
(Flavoprotein) 		4 SER A  87
LYS A  40
ALA A  39
THR A   8
 FMN  A1401 (-2.6A)
None
None
FMN  A1401 (-3.2A)
 0.90A 3cfqA-1sbzA:
undetectable
3cfqB-1sbzA:
undetectable		 3cfqA-1sbzA:
22.11
3cfqB-1sbzA:
22.11
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) 		4 LEU A  17
ALA A 108
LEU A 110
THR A 119
 None
 0.26A 3cfqA-1sn2A:
20.7
3cfqB-1sn2A:
21.1		 3cfqA-1sn2A:
56.78
3cfqB-1sn2A:
56.78
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) 		5 LEU A  17
ALA A 108
LEU A 110
SER A 117
THR A 119
 None
 0.53A 3cfqA-1tfpA:
19.7
3cfqB-1tfpA:
19.0		 3cfqA-1tfpA:
77.97
3cfqB-1tfpA:
77.97
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.
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
 0.84A 3cfqA-1tvzA:
undetectable
3cfqB-1tvzA:
undetectable		 3cfqA-1tvzA:
13.66
3cfqB-1tvzA:
13.66
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.
1u6z EXOPOLYPHOSPHATASE

(Escherichia
coli) 		PF02541
(Ppx-GppA) 		4 SER A 148
LEU A 124
ALA A 122
LEU A 297
 SO4  A 701 (-4.2A)
None
None
None
 1.04A 3cfqA-1u6zA:
undetectable
3cfqB-1u6zA:
undetectable		 3cfqA-1u6zA:
13.29
3cfqB-1u6zA:
13.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1urd MALTOSE-BINDING
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01547
(SBP_bac_1) 		4 SER A 296
ALA A 301
LEU A 305
THR A 298
 None
 0.94A 3cfqA-1urdA:
undetectable
3cfqB-1urdA:
undetectable		 3cfqA-1urdA:
14.99
3cfqB-1urdA:
14.99
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.
1uun MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		4 LEU A  62
ALA A 164
LEU A 166
THR A 176
 None
 0.70A 3cfqA-1uunA:
3.2
3cfqB-1uunA:
undetectable		 3cfqA-1uunA:
24.04
3cfqB-1uunA:
24.04
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.
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
 0.98A 3cfqA-1v4aA:
undetectable
3cfqB-1v4aA:
undetectable		 3cfqA-1v4aA:
13.35
3cfqB-1v4aA:
13.35
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.
1vch PHOSPHORIBOSYLTRANSF
ERASE-RELATED
PROTEIN

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		4 LEU A  45
ALA A  41
LEU A  70
THR A  38
 None
 1.04A 3cfqA-1vchA:
undetectable
3cfqB-1vchA:
undetectable		 3cfqA-1vchA:
21.14
3cfqB-1vchA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vp2 PUTATIVE XANTHOSINE
TRIPHOSPHATE
PYROPHOSPHATASE/HAM1
PROTEIN HOMOLOG

(Thermotoga
maritima) 		PF01725
(Ham1p_like) 		4 SER A 129
ALA A  66
SER A 116
THR A 118
 None
 0.80A 3cfqA-1vp2A:
undetectable
3cfqB-1vp2A:
undetectable		 3cfqA-1vp2A:
20.48
3cfqB-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) 		4 SER A 146
LEU A 261
ALA A 269
THR A 268
 None
SAM  A 301 (-4.1A)
None
None
 1.04A 3cfqA-1x7pA:
undetectable
3cfqB-1x7pA:
undetectable		 3cfqA-1x7pA:
15.97
3cfqB-1x7pA:
15.97
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.
1xg2 PECTINESTERASE 1

(Solanum
lycopersicum) 		PF01095
(Pectinesterase) 		4 LYS A 107
ALA A 103
LEU A  71
THR A 102
 None
 0.92A 3cfqA-1xg2A:
undetectable
3cfqB-1xg2A:
undetectable		 3cfqA-1xg2A:
15.67
3cfqB-1xg2A:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ykd ADENYLATE CYCLASE

(Anabaena sp.) 		PF01590
(GAF) 		4 LYS A 200
ALA A 101
LEU A 180
THR A 104
 None
 0.98A 3cfqA-1ykdA:
undetectable
3cfqB-1ykdA:
undetectable		 3cfqA-1ykdA:
12.94
3cfqB-1ykdA:
12.94
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.
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
 0.74A 3cfqA-1yr2A:
undetectable
3cfqB-1yr2A:
undetectable		 3cfqA-1yr2A:
11.92
3cfqB-1yr2A:
11.92
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.
2af5 ENGINEERED OUTER
SURFACE PROTEIN A
(OSPA) WITH THE
INSERTED TWO
BETA-HAIRPINS

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		4 SER A 121
LEU A  88
LEU A  99
THR A 115
 None
 0.87A 3cfqA-2af5A:
undetectable
3cfqB-2af5A:
undetectable		 3cfqA-2af5A:
18.73
3cfqB-2af5A:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c2i RV0130

(Mycobacterium
tuberculosis) 		PF01575
(MaoC_dehydratas) 		4 SER A 110
LEU A  91
ALA A 143
THR A 129
 None
 0.73A 3cfqA-2c2iA:
undetectable
3cfqB-2c2iA:
undetectable		 3cfqA-2c2iA:
22.67
3cfqB-2c2iA:
22.67
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.
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
 1.38A 3cfqA-2csdA:
undetectable
3cfqB-2csdA:
undetectable		 3cfqA-2csdA:
12.77
3cfqB-2csdA:
12.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.94A 3cfqA-2hr2A:
undetectable
3cfqB-2hr2A:
undetectable		 3cfqA-2hr2A:
23.84
3cfqB-2hr2A:
23.84
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.
2i6v GENERAL SECRETION
PATHWAY PROTEIN C

(Vibrio cholerae) 		no annotation 4 LEU A 267
ALA A 263
SER A 289
THR A 291
 None
 1.03A 3cfqA-2i6vA:
undetectable
3cfqB-2i6vA:
undetectable		 3cfqA-2i6vA:
18.10
3cfqB-2i6vA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)

(Homo sapiens) 		no annotation 4 SER A 160
LEU A 163
SER A 188
THR A 161
 None
 0.86A 3cfqA-2jdxA:
undetectable
3cfqB-2jdxA:
undetectable		 3cfqA-2jdxA:
14.56
3cfqB-2jdxA:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ohd PROBABLE MOLYBDENUM
COFACTOR
BIOSYNTHESIS PROTEIN
C

(Sulfurisphaera
tokodaii) 		PF01967
(MoaC) 		4 SER A  90
LYS A  58
LEU A  55
ALA A  57
 None
 1.02A 3cfqA-2ohdA:
undetectable
3cfqB-2ohdA:
undetectable		 3cfqA-2ohdA:
19.73
3cfqB-2ohdA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		4 SER A 262
ALA A 150
SER A 216
THR A 218
 None
 0.67A 3cfqA-2qp2A:
undetectable
3cfqB-2qp2A:
undetectable		 3cfqA-2qp2A:
12.95
3cfqB-2qp2A:
12.95
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.
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 3cfqA-2qq6A:
undetectable
3cfqB-2qq6A:
undetectable		 3cfqA-2qq6A:
14.14
3cfqB-2qq6A:
14.14
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		4 SER A 396
LEU A 222
LEU A 225
THR A 399
 None
 1.00A 3cfqA-2v8nA:
undetectable
3cfqB-2v8nA:
undetectable		 3cfqA-2v8nA:
12.95
3cfqB-2v8nA:
12.95
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.
2v9u MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		4 LEU A  62
ALA A 164
LEU A 166
THR A 176
 LEU  A  62 ( 0.5A)
ALA  A 164 ( 0.0A)
LEU  A 166 ( 0.5A)
THR  A 176 ( 0.8A)
 0.66A 3cfqA-2v9uA:
3.3
3cfqB-2v9uA:
3.2		 3cfqA-2v9uA:
25.56
3cfqB-2v9uA:
25.56
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.
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
 0.99A 3cfqA-2vjtB:
undetectable
3cfqB-2vjtB:
undetectable		 3cfqA-2vjtB:
22.78
3cfqB-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.
2w6d DYNAMIN FAMILY
PROTEIN

(Nostoc
punctiforme) 		PF00350
(Dynamin_N) 		4 LEU A  49
ALA A  38
LEU A  51
THR A  34
 None
 0.76A 3cfqA-2w6dA:
undetectable
3cfqB-2w6dA:
undetectable		 3cfqA-2w6dA:
11.41
3cfqB-2w6dA:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wua ACETOACETYL COA
THIOLASE

(Helianthus
annuus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 LEU A  77
LEU A 163
SER A 102
THR A 131
 None
 1.00A 3cfqA-2wuaA:
undetectable
3cfqB-2wuaA:
undetectable		 3cfqA-2wuaA:
14.29
3cfqB-2wuaA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 SER A 473
LEU A 369
ALA A 402
LEU A 414
 None
 0.96A 3cfqA-2xn1A:
undetectable
3cfqB-2xn1A:
undetectable		 3cfqA-2xn1A:
10.32
3cfqB-2xn1A:
10.32
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.
2y3s TAML

(Streptomyces
sp. 307-9) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 LYS A 107
ALA A 104
SER A  83
THR A 101
 GOL  A1501 (-4.5A)
None
None
None
 0.94A 3cfqA-2y3sA:
undetectable
3cfqB-2y3sA:
1.0		 3cfqA-2y3sA:
11.89
3cfqB-2y3sA:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 LEU B 585
ALA B 291
LEU B 293
THR B 305
 None
 0.86A 3cfqA-2z2mB:
undetectable
3cfqB-2z2mB:
undetectable		 3cfqA-2z2mB:
15.69
3cfqB-2z2mB:
15.69
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.
2zch MONOCLONAL ANTIBODY
8G8F5 FAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LYS H 205
ALA H 198
SER H 149
THR H 151
 None
 0.90A 3cfqA-2zchH:
3.8
3cfqB-2zchH:
3.6		 3cfqA-2zchH:
21.10
3cfqB-2zchH:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zcv UNCHARACTERIZED
OXIDOREDUCTASE YTFG

(Escherichia
coli) 		PF05368
(NmrA) 		4 SER A  73
LEU A 105
LEU A 104
THR A 102
 NDP  A 400 (-3.4A)
None
None
None
 0.88A 3cfqA-2zcvA:
undetectable
3cfqB-2zcvA:
undetectable		 3cfqA-2zcvA:
16.78
3cfqB-2zcvA:
16.78
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.
3a71 EXO-ARABINANASE

(Penicillium
chrysogenum) 		no annotation 4 SER A 283
LEU A 260
LEU A 279
THR A 285
 None
 1.03A 3cfqA-3a71A:
undetectable
3cfqB-3a71A:
undetectable		 3cfqA-3a71A:
15.17
3cfqB-3a71A:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b8k DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE

(Homo sapiens) 		PF00198
(2-oxoacid_dh) 		4 LEU A 482
ALA A 503
SER A 527
THR A 529
 None
 0.88A 3cfqA-3b8kA:
undetectable
3cfqB-3b8kA:
undetectable		 3cfqA-3b8kA:
21.55
3cfqB-3b8kA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b8k DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE

(Homo sapiens) 		PF00198
(2-oxoacid_dh) 		4 SER A 363
LEU A 482
ALA A 503
SER A 527
 None
 0.92A 3cfqA-3b8kA:
undetectable
3cfqB-3b8kA:
undetectable		 3cfqA-3b8kA:
21.55
3cfqB-3b8kA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d1r FRUCTOSE-1,6-BISPHOS
PHATASE CLASS II
GLPX

(Escherichia
coli) 		PF03320
(FBPase_glpX) 		4 ALA A 102
LEU A 104
SER A 281
THR A 283
 None
 0.70A 3cfqA-3d1rA:
undetectable
3cfqB-3d1rA:
undetectable		 3cfqA-3d1rA:
14.97
3cfqB-3d1rA:
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 113
ALA A 243
SER A 199
THR A 197
 None
 1.04A 3cfqA-3e60A:
undetectable
3cfqB-3e60A:
undetectable		 3cfqA-3e60A:
14.15
3cfqB-3e60A:
14.15
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.
3ea0 ATPASE, PARA FAMILY

(Chlorobaculum
tepidum) 		PF13614
(AAA_31) 		4 SER A 212
ALA A 223
LEU A 220
SER A 218
 None
 0.91A 3cfqA-3ea0A:
undetectable
3cfqB-3ea0A:
undetectable		 3cfqA-3ea0A:
17.93
3cfqB-3ea0A:
17.93
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.
3eex OUTER SURFACE
PROTEIN A

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		4 SER A 121
LEU A  88
LEU A  99
THR A 115
 None
 0.83A 3cfqA-3eexA:
undetectable
3cfqB-3eexA:
undetectable		 3cfqA-3eexA:
19.43
3cfqB-3eexA:
19.43
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.
3eya PYRUVATE
DEHYDROGENASE
[CYTOCHROME]

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 LEU A  32
ALA A 164
LEU A  29
SER A  28
 None
None
None
PO4  A 614 (-2.7A)
 1.02A 3cfqA-3eyaA:
undetectable
3cfqB-3eyaA:
undetectable		 3cfqA-3eyaA:
12.64
3cfqB-3eyaA:
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.
3f8u TAPASIN

(Homo sapiens) 		PF07654
(C1-set) 		4 ALA B 163
LEU B 142
SER B 161
THR B 231
 None
None
NAG  B1233 ( 4.6A)
None
 0.76A 3cfqA-3f8uB:
undetectable
3cfqB-3f8uB:
4.0		 3cfqA-3f8uB:
12.66
3cfqB-3f8uB:
12.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fc8 TRANSTHYRETIN

(Homo sapiens) 		PF00576
(Transthyretin) 		5 LEU A  17
ALA A 108
LEU A 110
SER A 117
THR A 119
 IFA  A3000 ( 4.7A)
IFA  A3000 (-3.1A)
IFA  A3000 (-4.1A)
IFA  A3000 (-3.9A)
IFA  A3000 ( 4.9A)
 0.70A 3cfqA-3fc8A:
24.0
3cfqB-3fc8A:
23.0		 3cfqA-3fc8A:
100.00
3cfqB-3fc8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fc8 TRANSTHYRETIN

(Homo sapiens) 		PF00576
(Transthyretin) 		5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
 IFA  A3000 (-3.0A)
IFA  A3000 ( 4.7A)
IFA  A3000 (-3.1A)
IFA  A3000 (-4.1A)
IFA  A3000 ( 4.9A)
 0.48A 3cfqA-3fc8A:
24.0
3cfqB-3fc8A:
23.0		 3cfqA-3fc8A:
100.00
3cfqB-3fc8A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhc NUCLEAR PORE COMPLEX
PROTEIN NUP214

(Homo sapiens) 		PF12894
(ANAPC4_WD40) 		5 LEU A 144
ALA A 175
LEU A 169
SER A 173
THR A 188
 None
 1.36A 3cfqA-3fhcA:
undetectable
3cfqB-3fhcA:
undetectable		 3cfqA-3fhcA:
14.71
3cfqB-3fhcA:
14.71
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.
3g9w TALIN-2

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS) 		4 SER A 382
ALA A 363
SER A 368
THR A 370
 None
 0.73A 3cfqA-3g9wA:
undetectable
3cfqB-3g9wA:
undetectable		 3cfqA-3g9wA:
19.42
3cfqB-3g9wA:
19.42
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.
3go1 FAB 268-D, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU L 132
ALA L 130
LEU L 178
THR L 181
 None
 1.01A 3cfqA-3go1L:
3.9
3cfqB-3go1L:
undetectable		 3cfqA-3go1L:
23.08
3cfqB-3go1L:
23.08
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.
3h8f CYTOSOL
AMINOPEPTIDASE

(Pseudomonas
putida) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 LEU A 307
ALA A 303
LEU A 309
THR A 300
 None
 1.04A 3cfqA-3h8fA:
undetectable
3cfqB-3h8fA:
undetectable		 3cfqA-3h8fA:
14.25
3cfqB-3h8fA:
14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i44 ALDEHYDE
DEHYDROGENASE

(Bartonella
henselae) 		PF00171
(Aldedh) 		4 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.81A 3cfqA-3i44A:
undetectable
3cfqB-3i44A:
undetectable		 3cfqA-3i44A:
12.75
3cfqB-3i44A:
12.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		4 LEU A 748
ALA A 744
LEU A 750
THR A 741
 None
 1.04A 3cfqA-3i5gA:
undetectable
3cfqB-3i5gA:
undetectable		 3cfqA-3i5gA:
9.43
3cfqB-3i5gA:
9.43
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.
3ijt PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		no annotation 4 SER A   0
LEU A  74
LEU A  83
SER A 103
 None
 0.93A 3cfqA-3ijtA:
undetectable
3cfqB-3ijtA:
undetectable		 3cfqA-3ijtA:
21.52
3cfqB-3ijtA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ivf TALIN-1

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS)
PF09379
(FERM_N)
PF16511
(FERM_f0) 		4 SER A 379
ALA A 360
SER A 365
THR A 367
 None
 0.75A 3cfqA-3ivfA:
undetectable
3cfqB-3ivfA:
undetectable		 3cfqA-3ivfA:
15.28
3cfqB-3ivfA:
15.28
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.
3iwk AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		4 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.86A 3cfqA-3iwkA:
undetectable
3cfqB-3iwkA:
undetectable		 3cfqA-3iwkA:
12.52
3cfqB-3iwkA:
12.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iwu 5-HYDROXYISOURATE
HYDROLASE

(Danio rerio) 		PF00576
(Transthyretin) 		4 LEU A  14
LEU A 107
SER A 114
THR A 116
 None
 0.59A 3cfqA-3iwuA:
19.6
3cfqB-3iwuA:
20.0		 3cfqA-3iwuA:
30.71
3cfqB-3iwuA:
30.71
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.
3j31 A223 PENTON BASE

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 4 ALA Q 215
LEU Q 217
SER Q 165
THR Q 167
 None
 0.76A 3cfqA-3j31Q:
undetectable
3cfqB-3j31Q:
undetectable		 3cfqA-3j31Q:
21.82
3cfqB-3j31Q:
21.82
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.
3k96 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Coxiella
burnetii) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		4 LEU A 324
ALA A 198
SER A 202
THR A 199
 None
 1.03A 3cfqA-3k96A:
undetectable
3cfqB-3k96A:
undetectable		 3cfqA-3k96A:
13.76
3cfqB-3k96A:
13.76
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.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A  27
ALA A 371
LEU A  26
SER A 344
THR A 372
 None
 1.46A 3cfqA-3kzuA:
undetectable
3cfqB-3kzuA:
undetectable		 3cfqA-3kzuA:
15.42
3cfqB-3kzuA:
15.42
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.
3l7y PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1108C

(Streptococcus
mutans) 		PF08282
(Hydrolase_3) 		4 LEU A 134
ALA A 106
SER A 108
THR A 152
 None
 0.95A 3cfqA-3l7yA:
undetectable
3cfqB-3l7yA:
undetectable		 3cfqA-3l7yA:
17.99
3cfqB-3l7yA:
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.
3mbe MHC CLASS II H2-IAG7
BETA CHAIN
TCR 21.3 ALPHA CHAIN

(Mus musculus) 		PF00969
(MHC_II_beta)
PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		4 SER C  84
LEU B  26
ALA B  78
LEU B  75
 None
 1.00A 3cfqA-3mbeC:
4.2
3cfqB-3mbeC:
4.4		 3cfqA-3mbeC:
17.54
3cfqB-3mbeC:
17.54
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.
3mj8 STIMULATORY HAMSTER
ANTIBODY HL4E10 FAB
LIGHT CHAIN

(Cricetulus
migratorius) 		no annotation 4 LEU L 132
ALA L 130
LEU L 179
THR L 182
 None
 1.04A 3cfqA-3mj8L:
4.3
3cfqB-3mj8L:
undetectable		 3cfqA-3mj8L:
24.27
3cfqB-3mj8L:
24.27
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.
3mlu HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 2557 FAB
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU L 136
ALA L 134
LEU L 182
THR L 185
 None
 1.02A 3cfqA-3mluL:
3.8
3cfqB-3mluL:
3.2		 3cfqA-3mluL:
23.15
3cfqB-3mluL:
23.15
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.
3mmt FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Bartonella
henselae) 		PF00274
(Glycolytic) 		4 LYS A 223
ALA A 261
LEU A  12
THR A 290
 2FP  A 350 (-2.2A)
None
None
None
 0.94A 3cfqA-3mmtA:
undetectable
3cfqB-3mmtA:
undetectable		 3cfqA-3mmtA:
15.70
3cfqB-3mmtA:
15.70
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.
3nn8 ENGINEERED SCFV,
HEAVY CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 SER A   7
LYS A  40
LEU A  50
LEU A  82
THR A 116
 None
 1.27A 3cfqA-3nn8A:
undetectable
3cfqB-3nn8A:
undetectable		 3cfqA-3nn8A:
21.23
3cfqB-3nn8A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nuu PKB-LIKE

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A 111
LEU A 113
LEU A 155
THR A 148
 SO4  A   5 (-2.8A)
None
None
SO4  A 369 (-3.7A)
 0.95A 3cfqA-3nuuA:
undetectable
3cfqB-3nuuA:
undetectable		 3cfqA-3nuuA:
18.88
3cfqB-3nuuA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher) 		4 SER A 496
LEU A 551
LEU A 532
THR A 523
 None
 0.86A 3cfqA-3ohnA:
4.2
3cfqB-3ohnA:
4.4		 3cfqA-3ohnA:
11.07
3cfqB-3ohnA:
11.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3on9 TUMOUR NECROSIS
FACTOR RECEPTOR

(Ectromelia
virus) 		PF07190
(DUF1406) 		4 SER A 182
LEU A 242
LEU A 199
SER A 188
 None
 0.96A 3cfqA-3on9A:
undetectable
3cfqB-3on9A:
undetectable		 3cfqA-3on9A:
20.59
3cfqB-3on9A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pei CYTOSOL
AMINOPEPTIDASE

(Francisella
tularensis) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 LEU A 290
ALA A 286
LEU A 292
THR A 283
 EDO  A 491 (-4.2A)
None
None
None
 0.93A 3cfqA-3peiA:
undetectable
3cfqB-3peiA:
undetectable		 3cfqA-3peiA:
13.33
3cfqB-3peiA:
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 LEU B 280
LEU B 264
SER B 317
THR B 319
 None
 0.79A 3cfqA-3prxB:
3.6
3cfqB-3prxB:
3.5		 3cfqA-3prxB:
5.58
3cfqB-3prxB:
5.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ri5 MOUSE MONOCLONAL FAB
FRAGMENT, LIGHT
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU K 135
ALA K 133
LEU K 181
THR K 184
 None
 1.02A 3cfqA-3ri5K:
undetectable
3cfqB-3ri5K:
undetectable		 3cfqA-3ri5K:
21.53
3cfqB-3ri5K:
21.53
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.
3rjl 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE

(Bacillus
licheniformis) 		PF00171
(Aldedh) 		4 SER A  55
LYS A 126
LEU A 120
ALA A 124
 None
 0.98A 3cfqA-3rjlA:
undetectable
3cfqB-3rjlA:
undetectable		 3cfqA-3rjlA:
14.40
3cfqB-3rjlA:
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.
3sag EXOSOME COMPONENT 10

(Homo sapiens) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 LEU A 396
ALA A 392
LEU A 398
THR A 389
 LEU  A 396 ( 0.6A)
ALA  A 392 ( 0.0A)
LEU  A 398 ( 0.6A)
THR  A 389 ( 0.8A)
 0.89A 3cfqA-3sagA:
undetectable
3cfqB-3sagA:
undetectable		 3cfqA-3sagA:
13.24
3cfqB-3sagA:
13.24
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.
3sma FRBF

(Streptomyces
rubellomurinus) 		PF02522
(Antibiotic_NAT) 		4 LEU A 180
ALA A 258
LEU A 260
SER A 249
 None
 0.64A 3cfqA-3smaA:
undetectable
3cfqB-3smaA:
undetectable		 3cfqA-3smaA:
18.35
3cfqB-3smaA:
18.35
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.
3t2n ANTIBODY, FAB
FRAGMENT, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU L 133
ALA L 131
LEU L 179
THR L 182
 None
 1.03A 3cfqA-3t2nL:
undetectable
3cfqB-3t2nL:
undetectable		 3cfqA-3t2nL:
24.88
3cfqB-3t2nL:
24.88
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 LEU A 240
ALA A 243
LEU A 239
THR A 187
 None
 0.90A 3cfqA-3t6sA:
undetectable
3cfqB-3t6sA:
undetectable		 3cfqA-3t6sA:
16.48
3cfqB-3t6sA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 SER A 360
LYS A 184
LEU A 196
THR A 215
 None
 0.54A 3cfqA-3ty1A:
undetectable
3cfqB-3ty1A:
undetectable		 3cfqA-3ty1A:
16.15
3cfqB-3ty1A:
16.15
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.
3ty7 PUTATIVE ALDEHYDE
DEHYDROGENASE
SAV2122

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		4 LEU A 169
LEU A 142
SER A 220
THR A 222
 None
 0.78A 3cfqA-3ty7A:
undetectable
3cfqB-3ty7A:
undetectable		 3cfqA-3ty7A:
13.74
3cfqB-3ty7A:
13.74
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.
3ujq LEGUME LECTIN

(Lablab
purpureus) 		PF00139
(Lectin_legB) 		4 SER A  28
LEU A 188
ALA A  91
SER A 251
 None
 0.83A 3cfqA-3ujqA:
undetectable
3cfqB-3ujqA:
undetectable		 3cfqA-3ujqA:
18.77
3cfqB-3ujqA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uk2 PANTOTHENATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF02569
(Pantoate_ligase) 		4 LEU A 268
ALA A 266
LEU A 273
THR A 264
 None
 0.96A 3cfqA-3uk2A:
undetectable
3cfqB-3uk2A:
undetectable		 3cfqA-3uk2A:
18.79
3cfqB-3uk2A:
18.79
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		4 LYS A 323
ALA A 168
SER A  92
THR A  94
 None
 0.93A 3cfqA-3ut3A:
undetectable
3cfqB-3ut3A:
undetectable		 3cfqA-3ut3A:
15.78
3cfqB-3ut3A:
15.78
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.
3uxj NADPH-DEPENDENT
7-CYANO-7-DEAZAGUANI
NE REDUCTASE

(Vibrio cholerae) 		PF14489
(QueF)
PF14819
(QueF_N) 		4 SER A 272
ALA A 208
SER A 252
THR A 254
 None
EDO  A 292 (-4.0A)
EDO  A 292 (-2.7A)
None
 0.75A 3cfqA-3uxjA:
undetectable
3cfqB-3uxjA:
undetectable		 3cfqA-3uxjA:
16.03
3cfqB-3uxjA:
16.03