SIMILAR PATTERNS OF AMINO ACIDS FOR 3CS8_A_BRLA503

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.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		5 GLY B 158
HIS A  16
LEU A  25
HIS B  38
LEU B 534
 None
 0.84A 3cs8A-1cp9B:
0.0		 3cs8A-1cp9B:
18.89
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.
1exs BETA-LACTOGLOBULIN

(Sus scrofa) 		PF00061
(Lipocalin) 		5 GLY A  45
ILE A  84
LEU A  87
LEU A  94
LEU A  54
 None
 1.32A 3cs8A-1exsA:
undetectable		 3cs8A-1exsA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1khw RNA-DIRECTED RNA
POLYMERASE

(Rabbit
hemorrhagic
disease virus) 		PF00680
(RdRP_1) 		5 HIS A 321
LEU A 343
LEU A 249
LEU A 375
TYR A 251
 None
 1.33A 3cs8A-1khwA:
0.0		 3cs8A-1khwA:
21.22
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.
1l6n GAG POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00540
(Gag_p17)
PF00607
(Gag_p24) 		5 GLY A  56
CYH A  57
ILE A  34
LEU A   8
LEU A  78
 None
 1.25A 3cs8A-1l6nA:
0.0		 3cs8A-1l6nA:
21.75
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY B 280
ILE B 289
LEU B 233
LEU B  87
LEU B  82
 None
 1.26A 3cs8A-1n60B:
undetectable		 3cs8A-1n60B:
14.52
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.
1n7d LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		5 GLY A 552
SER A 566
ILE A 577
LEU A 613
LEU A 590
 None
 1.34A 3cs8A-1n7dA:
undetectable		 3cs8A-1n7dA:
17.77
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.
1rty YVQK PROTEIN

(Bacillus
subtilis) 		PF01923
(Cob_adeno_trans) 		5 GLY A 163
ILE A  40
LEU A  44
LEU A 156
TYR A 152
 None
 1.30A 3cs8A-1rtyA:
undetectable		 3cs8A-1rtyA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1txg GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Archaeoglobus
fulgidus) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 SER A  16
ILE A   5
LEU A  76
LEU A  50
LEU A  54
 None
 1.34A 3cs8A-1txgA:
0.0		 3cs8A-1txgA:
23.24
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 CYH A 442
ILE A 342
LEU A 346
LEU A 193
TYR A 191
 None
 1.09A 3cs8A-1u2zA:
0.0		 3cs8A-1u2zA:
24.11
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.
1xvt CROTONOBETAINYL-COA:
CARNITINE
COA-TRANSFERASE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		5 GLY A 237
CYH A 236
ILE A 281
LEU A 280
LEU A 296
 None
 1.21A 3cs8A-1xvtA:
undetectable		 3cs8A-1xvtA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ykw RUBISCO-LIKE PROTEIN

(Chlorobaculum
tepidum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLY A 106
ILE A 135
LEU A  24
LEU A 142
LEU A 313
 None
 1.27A 3cs8A-1ykwA:
undetectable		 3cs8A-1ykwA:
21.83
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 GLY A  52
LEU A  44
HIS A 189
LEU A   9
TYR A   8
 None
 1.34A 3cs8A-1yq2A:
undetectable		 3cs8A-1yq2A:
14.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ass S-PHASE
KINASE-ASSOCIATED
PROTEIN 2

(Homo sapiens) 		PF12937
(F-box-like) 		5 GLY B2239
CYH B2240
ILE B2222
LEU B2198
LEU B2235
 PO4  B   5 ( 4.4A)
None
None
None
None
 1.32A 3cs8A-2assB:
undetectable		 3cs8A-2assB:
22.79
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.
2dme PHD FINGER PROTEIN 3

(Homo sapiens) 		PF07500
(TFIIS_M) 		5 GLY A  88
ILE A  47
MET A  98
LEU A  73
LEU A  24
 None
 1.31A 3cs8A-2dmeA:
undetectable		 3cs8A-2dmeA:
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.
2eam PUTATIVE 47 KDA
PROTEIN

(Homo sapiens) 		PF00536
(SAM_1) 		5 GLY A  56
ILE A  70
LEU A  67
LEU A  19
LEU A  31
 None
 1.29A 3cs8A-2eamA:
undetectable		 3cs8A-2eamA:
18.06
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.
2ess ACYL-ACP
THIOESTERASE

(Bacteroides
thetaiotaomicron) 		PF01643
(Acyl-ACP_TE) 		5 SER A 242
ILE A 184
LEU A 185
MET A  27
TYR A 205
 None
 1.29A 3cs8A-2essA:
undetectable		 3cs8A-2essA:
18.91
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.
2h84 STEELY1

(Dictyostelium
discoideum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A3133
CYH A2930
ILE A2978
LEU A3028
LEU A3030
 None
P6G  A1000 (-3.4A)
None
None
P6G  A1000 ( 4.4A)
 1.36A 3cs8A-2h84A:
undetectable		 3cs8A-2h84A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN

(Homo sapiens) 		PF00588
(SpoU_methylase) 		5 GLY A 129
SER A  32
LEU A  55
LEU A  93
LEU A  89
 SAH  A 401 (-3.1A)
None
None
None
None
 0.79A 3cs8A-2ha8A:
undetectable		 3cs8A-2ha8A:
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.
2hpu NOSL PROTEIN

(Achromobacter
cycloclastes) 		PF05573
(NosL) 		5 GLY A  61
ILE A  71
LEU A 137
LEU A  40
LEU A  47
 None
 1.07A 3cs8A-2hpuA:
undetectable		 3cs8A-2hpuA:
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.
2lvv FLAGELLAR
CALCIUM-BINDING
PROTEIN TB-24

(Trypanosoma
brucei) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 GLY A  76
CYH A  77
ILE A  41
LEU A 126
LEU A  90
 None
 1.29A 3cs8A-2lvvA:
undetectable		 3cs8A-2lvvA:
22.07
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.
2p4s PURINE NUCLEOSIDE
PHOSPHORYLASE

(Anopheles
gambiae) 		PF01048
(PNP_UDP_1) 		5 GLY A 168
ILE A 197
LEU A 196
MET A 188
LEU A 123
 None
 1.19A 3cs8A-2p4sA:
undetectable		 3cs8A-2p4sA:
20.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 CYH A 276
SER A 280
LEU A 321
MET A 355
HIS A 440
 735  A 469 (-2.9A)
735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
735  A 469 (-4.0A)
 0.99A 3cs8A-2p54A:
37.5		 3cs8A-2p54A:
61.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 SER A 280
ILE A 317
LEU A 321
MET A 355
LEU A 460
TYR A 464
 735  A 469 (-2.8A)
735  A 469 ( 4.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.67A 3cs8A-2p54A:
37.5		 3cs8A-2p54A:
61.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 SER A 280
LEU A 321
MET A 355
HIS A 440
LEU A 460
TYR A 464
 735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
735  A 469 (-4.0A)
735  A 469 (-4.3A)
735  A 469 (-4.6A)
 0.91A 3cs8A-2p54A:
37.5		 3cs8A-2p54A:
61.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 SER A 280
LEU A 321
MET A 355
LYS A 358
HIS A 440
TYR A 464
 735  A 469 (-2.8A)
735  A 469 ( 4.3A)
735  A 469 (-2.9A)
None
735  A 469 (-4.0A)
735  A 469 (-4.6A)
 0.98A 3cs8A-2p54A:
37.5		 3cs8A-2p54A:
61.80
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.
2z0q RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 3

(Mus musculus) 		PF00621
(RhoGEF) 		5 HIS A  67
LEU A  20
LEU A 153
LEU A  98
TYR A 101
 None
 1.17A 3cs8A-2z0qA:
undetectable		 3cs8A-2z0qA:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 CYH A 285
HIS A 323
ILE A 326
LEU A 330
MET A 364
 MC5  A   1 (-3.6A)
MC5  A   1 (-3.8A)
MC5  A   1 ( 4.9A)
MC5  A   1 (-4.4A)
MC5  A   1 (-3.7A)
 0.85A 3cs8A-3b0qA:
38.9		 3cs8A-3b0qA:
98.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 CYH A 285
HIS A 323
LEU A 330
MET A 364
LYS A 367
 MC5  A   1 (-3.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-4.4A)
MC5  A   1 (-3.7A)
None
 0.96A 3cs8A-3b0qA:
38.9		 3cs8A-3b0qA:
98.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 GLY A 284
CYH A 285
SER A 289
ILE A 326
LEU A 330
MET A 364
 MC5  A   1 ( 4.5A)
MC5  A   1 (-3.6A)
MC5  A   1 (-2.6A)
MC5  A   1 ( 4.9A)
MC5  A   1 (-4.4A)
MC5  A   1 (-3.7A)
 0.92A 3cs8A-3b0qA:
38.9		 3cs8A-3b0qA:
98.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 GLY A 284
CYH A 285
SER A 289
LEU A 330
MET A 364
LYS A 367
HIS A 449
 MC5  A   1 ( 4.5A)
MC5  A   1 (-3.6A)
MC5  A   1 (-2.6A)
MC5  A   1 (-4.4A)
MC5  A   1 (-3.7A)
None
MC5  A   1 (-3.9A)
 1.15A 3cs8A-3b0qA:
38.9		 3cs8A-3b0qA:
98.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 GLY A 284
MET A 364
LYS A 367
HIS A 449
LEU A 453
TYR A 473
 MC5  A   1 ( 4.5A)
MC5  A   1 (-3.7A)
None
MC5  A   1 (-3.9A)
MC5  A   1 (-4.2A)
MC5  A   1 (-4.9A)
 1.25A 3cs8A-3b0qA:
38.9		 3cs8A-3b0qA:
98.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 GLY A 284
SER A 289
ILE A 326
LEU A 330
MET A 364
LEU A 469
TYR A 473
 MC5  A   1 ( 4.5A)
MC5  A   1 (-2.6A)
MC5  A   1 ( 4.9A)
MC5  A   1 (-4.4A)
MC5  A   1 (-3.7A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 0.64A 3cs8A-3b0qA:
38.9		 3cs8A-3b0qA:
98.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 GLY A 284
SER A 289
LEU A 330
MET A 364
LYS A 367
HIS A 449
LEU A 469
TYR A 473
 MC5  A   1 ( 4.5A)
MC5  A   1 (-2.6A)
MC5  A   1 (-4.4A)
MC5  A   1 (-3.7A)
None
MC5  A   1 (-3.9A)
MC5  A   1 (-4.1A)
MC5  A   1 (-4.9A)
 1.09A 3cs8A-3b0qA:
38.9		 3cs8A-3b0qA:
98.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 HIS A 323
ILE A 326
LEU A 330
MET A 364
TYR A 473
 MC5  A   1 (-3.8A)
MC5  A   1 ( 4.9A)
MC5  A   1 (-4.4A)
MC5  A   1 (-3.7A)
MC5  A   1 (-4.9A)
 0.74A 3cs8A-3b0qA:
38.9		 3cs8A-3b0qA:
98.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 HIS A 323
LEU A 330
MET A 364
LYS A 367
TYR A 473
 MC5  A   1 (-3.8A)
MC5  A   1 (-4.4A)
MC5  A   1 (-3.7A)
None
MC5  A   1 (-4.9A)
 0.82A 3cs8A-3b0qA:
38.9		 3cs8A-3b0qA:
98.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 HIS A 323
MET A 364
LYS A 367
LEU A 453
TYR A 473
 MC5  A   1 (-3.8A)
MC5  A   1 (-3.7A)
None
MC5  A   1 (-4.2A)
MC5  A   1 (-4.9A)
 1.01A 3cs8A-3b0qA:
38.9		 3cs8A-3b0qA:
98.55
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.
3b2d CD180 ANTIGEN

(Homo sapiens) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 GLY A 507
CYH A 506
SER A 504
ILE A 502
LEU A 501
 None
 1.01A 3cs8A-3b2dA:
undetectable		 3cs8A-3b2dA:
19.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 HIS A 323
ILE A 326
LEU A 330
LEU A 469
TYR A 473
 L41  A 501 (-3.8A)
None
L41  A 501 (-4.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 1.04A 3cs8A-3d5fA:
36.0		 3cs8A-3d5fA:
62.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 HIS A 323
LEU A 330
HIS A 449
LEU A 469
TYR A 473
 L41  A 501 (-3.8A)
L41  A 501 (-4.9A)
L41  A 501 (-3.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 1.20A 3cs8A-3d5fA:
36.0		 3cs8A-3d5fA:
62.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 HIS A 323
LYS A 367
HIS A 449
LEU A 469
TYR A 473
 L41  A 501 (-3.8A)
None
L41  A 501 (-3.9A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 1.20A 3cs8A-3d5fA:
36.0		 3cs8A-3d5fA:
62.78
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.
3df8 POSSIBLE HXLR FAMILY
TRANSCRIPTIONAL
FACTOR

(Thermoplasma
volcanium) 		PF01638
(HxlR) 		5 GLY A  68
ILE A  29
LEU A  33
LEU A  21
LEU A  20
 None
 1.02A 3cs8A-3df8A:
undetectable		 3cs8A-3df8A:
18.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		7 GLY D 284
CYH D 285
HIS D 323
LEU D 330
MET D 364
LEU D 469
TYR D 473
 PLB  D 701 (-3.3A)
PLB  D 701 (-3.2A)
None
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
None
 0.68A 3cs8A-3dzuD:
36.3		 3cs8A-3dzuD:
92.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		7 GLY D 284
CYH D 285
ILE D 326
LEU D 330
MET D 364
LEU D 469
TYR D 473
 PLB  D 701 (-3.3A)
PLB  D 701 (-3.2A)
PLB  D 701 ( 4.5A)
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
None
 0.61A 3cs8A-3dzuD:
36.3		 3cs8A-3dzuD:
92.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 GLY D 284
CYH D 285
LEU D 330
MET D 364
HIS D 449
TYR D 473
 PLB  D 701 (-3.3A)
PLB  D 701 (-3.2A)
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
None
 1.10A 3cs8A-3dzuD:
36.3		 3cs8A-3dzuD:
92.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		7 GLY D 284
SER D 289
ILE D 326
LEU D 330
MET D 364
LEU D 469
TYR D 473
 PLB  D 701 (-3.3A)
PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.5A)
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
None
 0.76A 3cs8A-3dzuD:
36.3		 3cs8A-3dzuD:
92.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 GLY D 284
SER D 289
LEU D 330
MET D 364
HIS D 449
TYR D 473
 PLB  D 701 (-3.3A)
PLB  D 701 ( 3.9A)
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
None
 1.17A 3cs8A-3dzuD:
36.3		 3cs8A-3dzuD:
92.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 HIS D 323
LEU D 330
MET D 364
LYS D 367
LEU D 469
TYR D 473
 None
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
None
None
 0.95A 3cs8A-3dzuD:
36.3		 3cs8A-3dzuD:
92.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 ILE D 326
LEU D 330
MET D 364
LYS D 367
LEU D 469
TYR D 473
 PLB  D 701 ( 4.5A)
PLB  D 701 ( 4.1A)
PLB  D 701 ( 4.8A)
None
None
None
 0.86A 3cs8A-3dzuD:
36.3		 3cs8A-3dzuD:
92.57
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.
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum) 		PF12146
(Hydrolase_4) 		5 GLY A  62
MET A  90
HIS A  20
LEU A  44
LEU A   2
 None
 1.13A 3cs8A-3e0xA:
undetectable		 3cs8A-3e0xA:
25.17
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.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A 206
LEU A 101
LEU A 140
LEU A 147
TYR A 141
 None
 1.33A 3cs8A-3egeA:
undetectable		 3cs8A-3egeA:
24.53
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.
3fxi TOLL-LIKE RECEPTOR 4

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A 261
ILE A 285
LEU A 307
LEU A 250
LEU A 231
 None
 1.16A 3cs8A-3fxiA:
undetectable		 3cs8A-3fxiA:
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.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		5 GLY A  12
SER A 312
ILE A  53
LEU A  57
LEU A  46
 FAD  A 600 (-3.6A)
None
None
None
None
 1.02A 3cs8A-3i3lA:
undetectable		 3cs8A-3i3lA:
19.34
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.
3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 GLY B 839
ILE B 865
LEU B 860
LEU B 806
LEU B 815
 None
 0.95A 3cs8A-3k70B:
undetectable		 3cs8A-3k70B:
13.25
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.
3kw3 ALANINE RACEMASE

(Bartonella
henselae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A  66
CYH A  67
LEU A  81
LEU A 231
TYR A 232
 None
 1.32A 3cs8A-3kw3A:
undetectable		 3cs8A-3kw3A:
22.57
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.
3kyl TELOMERASE REVERSE
TRANSCRIPTASE

(Tribolium
castaneum) 		PF00078
(RVT_1)
PF12009
(Telomerase_RBD) 		5 CYH A 315
SER A 313
HIS A 287
ILE A 288
LEU A 264
 None
 1.25A 3cs8A-3kylA:
undetectable		 3cs8A-3kylA:
18.06
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.
3mam OSMOPROTECTION
PROTEIN (PROX)

(Archaeoglobus
fulgidus) 		PF04069
(OpuAC) 		5 GLY A  98
ILE A  71
LEU A  72
LEU A  52
TYR A  60
 None
 1.21A 3cs8A-3mamA:
undetectable		 3cs8A-3mamA:
23.76
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.
3op1 MACROLIDE-EFFLUX
PROTEIN

(Streptococcus
pneumoniae) 		PF01687
(Flavokinase)
PF06574
(FAD_syn) 		5 GLY A  24
ILE A  51
MET A 118
LEU A  93
LEU A  85
 GOL  A 318 (-3.6A)
None
None
None
None
 1.20A 3cs8A-3op1A:
undetectable		 3cs8A-3op1A:
21.88
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A 137
CYH A 138
ILE A  98
LEU A 168
HIS A  96
 None
 1.30A 3cs8A-3pvcA:
undetectable		 3cs8A-3pvcA:
17.55
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.
3t34 DYNAMIN-RELATED
PROTEIN 1A, LINKER,
DYNAMIN-RELATED
PROTEIN 1A

(Arabidopsis
thaliana) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		5 GLY A  56
ILE A  37
LEU A 178
LEU A  74
LEU A  76
 None
 1.01A 3cs8A-3t34A:
undetectable		 3cs8A-3t34A:
25.76
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.
3umc HALOACID
DEHALOGENASE

(Pseudomonas
aeruginosa) 		PF13419
(HAD_2) 		5 GLY A  80
ILE A  91
LEU A  88
LEU A  30
LEU A  34
 None
 1.11A 3cs8A-3umcA:
undetectable		 3cs8A-3umcA:
24.58
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.
3vns NRPS ADENYLATION
PROTEIN CYTC1

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 216
ILE A  82
LEU A  86
LEU A  34
LEU A 201
 None
 1.26A 3cs8A-3vnsA:
undetectable		 3cs8A-3vnsA:
18.53
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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		5 GLY A 156
HIS A  64
ILE A  63
LEU A 141
TYR A 136
 None
 1.36A 3cs8A-3vupA:
undetectable		 3cs8A-3vupA:
21.73
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.
4bvt CYANURIC ACID
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF09663
(Amido_AtzD_TrzD) 		5 SER A 193
ILE A 128
LEU A 166
LYS A 170
LEU A 237
 None
 1.28A 3cs8A-4bvtA:
undetectable		 3cs8A-4bvtA:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 496
SER A 360
ILE A 364
LEU A 367
LEU A 518
 None
 1.34A 3cs8A-4c7vA:
undetectable		 3cs8A-4c7vA:
19.57
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.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		5 GLY B 266
ILE B  79
LEU B  53
MET B 234
LEU B 261
 None
 1.27A 3cs8A-4dhiB:
undetectable		 3cs8A-4dhiB:
26.11
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.
4g6x GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Catenulispora
acidiphila) 		PF00903
(Glyoxalase) 		5 GLY A  25
ILE A 122
LEU A 114
LEU A  55
LEU A  53
 None
 0.97A 3cs8A-4g6xA:
undetectable		 3cs8A-4g6xA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 GLY A 708
ILE A 614
LEU A 602
LEU A 639
LEU A 675
 None
 1.36A 3cs8A-4i1pA:
undetectable		 3cs8A-4i1pA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A3917
ILE A3842
HIS A3961
LEU A3886
LEU A3882
 None
 1.29A 3cs8A-4kc5A:
undetectable		 3cs8A-4kc5A:
14.91
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.
4kyq PHOSPHOGLUCAN
PHOSPHATASE LSF2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00782
(DSPc) 		5 ILE A 124
LEU A 115
MET A  91
HIS A 192
LEU A 140
 None
 1.32A 3cs8A-4kyqA:
undetectable		 3cs8A-4kyqA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 GLY A 735
ILE A 721
LEU A 748
LEU A 716
LEU A 712
 None
 1.08A 3cs8A-4lxrA:
undetectable		 3cs8A-4lxrA:
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.
4npr XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE GH12

(Aspergillus
niveus) 		PF01670
(Glyco_hydro_12) 		5 GLY A 204
ILE A 134
LEU A 122
LEU A 168
LEU A 166
 None
 1.35A 3cs8A-4nprA:
undetectable		 3cs8A-4nprA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		5 GLY C 871
ILE C 895
HIS C 862
LEU C 920
LEU C 999
 None
None
2US  C1101 (-3.7A)
None
None
 1.05A 3cs8A-4oqaC:
undetectable		 3cs8A-4oqaC:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p53 CYCLASE

(Streptomyces
hygroscopicus) 		PF01761
(DHQ_synthase) 		5 GLY A 327
SER A 312
LEU A 394
LEU A 215
LEU A 219
 None
 1.05A 3cs8A-4p53A:
undetectable		 3cs8A-4p53A:
22.74
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 GLY A 120
ILE A 176
MET A  18
LEU A   6
LEU A 152
 None
 1.14A 3cs8A-4rcdA:
undetectable		 3cs8A-4rcdA:
20.19
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.
4ri6 PHI CLASS
GLUTATHIONE
TRANSFERASE GSTF1

(Populus tremula
x Populus
tremuloides) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLY A 111
ILE A 133
LEU A 132
LEU A 185
LEU A 176
 None
 1.34A 3cs8A-4ri6A:
undetectable		 3cs8A-4ri6A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u08 LIC11098

(Leptospira
interrogans) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 GLY A 216
ILE A 229
LEU A 255
LEU A 245
LEU A 222
 ZN  A 504 ( 4.2A)
None
None
None
None
 1.32A 3cs8A-4u08A:
undetectable		 3cs8A-4u08A:
24.43
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.
4u4i CU/ZN SUPEROXIDE
DISMUTASE

(Megavirus
chiliensis) 		PF00080
(Sod_Cu) 		5 GLY A  52
CYH A  53
ILE A  39
LEU A  19
LEU A  43
 None
 1.14A 3cs8A-4u4iA:
undetectable		 3cs8A-4u4iA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xq6 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Mycobacterium
tuberculosis) 		PF01180
(DHO_dh) 		5 GLY A 307
HIS A 329
ILE A 332
LEU A 336
LEU A 311
 None
 0.94A 3cs8A-4xq6A:
undetectable		 3cs8A-4xq6A:
20.85
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.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		5 GLY A  16
SER A 342
LEU A 347
LEU A  80
LEU A 159
 None
 1.25A 3cs8A-4yshA:
undetectable		 3cs8A-4yshA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		5 SER A 342
ILE A 339
LEU A  50
LEU A  80
LEU A 163
 None
FAD  A 401 (-3.8A)
None
None
None
 1.32A 3cs8A-4yshA:
undetectable		 3cs8A-4yshA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yzk TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE

(Streptomyces
blastmyceticus) 		PF11991
(Trp_DMAT) 		5 ILE A 172
LEU A 190
MET A 239
HIS A 174
LEU A 143
 None
 1.26A 3cs8A-4yzkA:
undetectable		 3cs8A-4yzkA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxw C-DOMAIN TYPE II
PEPTIDE SYNTHETASE

(Streptomyces
globisporus) 		PF00668
(Condensation) 		5 GLY A 248
ILE A 411
LEU A 446
LEU A 443
TYR A 442
 None
 1.13A 3cs8A-4zxwA:
undetectable		 3cs8A-4zxwA:
19.68
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.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni) 		no annotation 5 GLY A  96
LEU A 156
MET A  38
LEU A  83
LEU A  79
 None
None
OAQ  A 302 (-4.3A)
None
None
 1.04A 3cs8A-5bykA:
undetectable		 3cs8A-5bykA:
22.41
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.
5c9e SEPL

(Escherichia
coli) 		PF07201
(HrpJ) 		5 SER A 227
ILE A 223
LEU A 249
LEU A 168
LEU A  94
 None
 1.33A 3cs8A-5c9eA:
undetectable		 3cs8A-5c9eA:
22.55
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 GLY A 252
LEU A 134
HIS A  78
LEU A  72
TYR A  76
 None
 1.12A 3cs8A-5cerA:
undetectable		 3cs8A-5cerA:
20.54
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.
5cws NUCLEOPORIN NIC96
NUCLEOPORIN NSP1
NUCLEOPORIN NUP49
NUCLEOPORIN NUP57

(Chaetomium
thermophilum) 		PF05064
(Nsp1_C)
PF13874
(Nup54)
no annotation 		5 SER D 444
ILE D 445
LEU E 297
LEU C 627
LEU F 177
 None
 1.23A 3cs8A-5cwsD:
undetectable		 3cs8A-5cwsD:
23.38
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.
5evy SALICYLATE
HYDROXYLASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 GLY X 191
SER X 284
LEU X 268
LEU X 198
TYR X 202
 None
 1.09A 3cs8A-5evyX:
undetectable		 3cs8A-5evyX:
21.94
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.
5fn3 PRESENILIN-1

(Homo sapiens) 		PF01080
(Presenilin) 		5 SER B 438
ILE B 439
LEU B 392
MET B  93
LEU B 381
 None
 1.35A 3cs8A-5fn3B:
undetectable		 3cs8A-5fn3B:
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.
5jvv BETA-1,3-GLUCOSYLTRA
NSFERASE

(Paecilomyces
sp.
'thermophila') 		no annotation 5 GLY B  85
ILE B 120
LEU B 198
LEU B 295
LEU B 242
 None
 1.22A 3cs8A-5jvvB:
undetectable		 3cs8A-5jvvB:
20.13
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6

(Bos taurus) 		PF00146
(NADHdh)
PF00420
(Oxidored_q2)
PF00499
(Oxidored_q3) 		5 GLY J  42
CYH J  41
ILE J  34
LEU H 111
LEU K  38
 None
 1.11A 3cs8A-5lc5J:
undetectable		 3cs8A-5lc5J:
20.14
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLY A 214
ILE A 227
LEU A 166
LEU A 240
LEU A 251
 None
 1.26A 3cs8A-5mdnA:
undetectable		 3cs8A-5mdnA:
17.25
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.
5o6u UNCHARACTERIZED
PROTEIN

(Shewanella
putrefaciens) 		no annotation 5 GLY F 137
ILE F 242
LEU F 223
MET F 232
TYR F 259
 None
 1.34A 3cs8A-5o6uF:
undetectable		 3cs8A-5o6uF:
21.88
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.
5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 GLY A 215
SER A 394
LEU A 188
LEU A 132
LEU A 212
 None
 1.31A 3cs8A-5th6A:
undetectable		 3cs8A-5th6A:
19.31
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.
5wx4 ALKYLQUINOLONE
SYNTHASE

(Tetradium
ruticarpum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 169
CYH A 170
ILE A 315
LEU A 273
TYR A 215
 None
 1.09A 3cs8A-5wx4A:
undetectable		 3cs8A-5wx4A:
21.57
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.
5x3t ANTITOXIN VAPB26
RIBONUCLEASE VAPC26

(Mycobacterium
tuberculosis) 		PF01402
(RHH_1)
PF01850
(PIN) 		5 GLY A  48
ILE B   3
LEU B 113
LEU B  43
LEU B  63
 None
 1.15A 3cs8A-5x3tA:
undetectable		 3cs8A-5x3tA:
17.35
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.
5xsq NUCLEOPROTEIN

(Marburg
marburgvirus) 		PF05505
(Ebola_NP) 		5 GLY A  29
ILE A  22
LEU A  40
LEU A  96
LEU A 100
 None
 1.26A 3cs8A-5xsqA:
undetectable		 3cs8A-5xsqA:
20.35
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.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 5 GLY A 210
ILE A 234
HIS A 201
LEU A 259
LEU A 338
 None
None
8E6  A 401 (-3.5A)
None
None
 1.20A 3cs8A-5xstA:
undetectable		 3cs8A-5xstA:
15.35
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.
6c7y TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 5 GLY A1023
LEU A1010
MET A 956
LEU A 932
LEU A 994
 MG  A1203 ( 4.7A)
ADP  A1201 (-4.5A)
ADP  A1201 (-4.2A)
None
None
 0.98A 3cs8A-6c7yA:
undetectable		 3cs8A-6c7yA:
15.75
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 ILE A2851
LEU A2810
MET A2858
LEU A2895
LEU A2881
 None
 1.31A 3cs8A-6ez8A:
undetectable		 3cs8A-6ez8A:
11.65
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.
6f72 MTVAO615

(Thermothelomyces
thermophila) 		no annotation 5 GLY A 336
SER A 339
ILE A 239
LEU A 240
HIS A 394
 None
 1.31A 3cs8A-6f72A:
undetectable		 3cs8A-6f72A:
11.64