SIMILAR PATTERNS OF AMINO ACIDS FOR 6NKN_P_CHDP301_0

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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		4 LEU A 146
ASP A 134
TYR A 133
HIS A 432
 None
 1.17A 6nknC-1c2oA:
0.1
6nknN-1c2oA:
0.0
6nknP-1c2oA:
0.0		 6nknC-1c2oA:
17.50
6nknN-1c2oA:
23.41
6nknP-1c2oA:
17.50
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.
1cb8 PROTEIN
(CHONDROITINASE AC)

(Pedobacter
heparinus) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 LEU A 223
HIS A 340
ASP A 347
TYR A 348
 None
 1.15A 6nknC-1cb8A:
undetectable
6nknN-1cb8A:
undetectable
6nknP-1cb8A:
undetectable		 6nknC-1cb8A:
16.94
6nknN-1cb8A:
21.65
6nknP-1cb8A:
16.94
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.
1ikf IGG1-KAPPA R45-45-11
FAB (HEAVY CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H 101
ASP H 103
THR H 104
TYR H 109
 None
 1.16A 6nknC-1ikfH:
undetectable
6nknN-1ikfH:
undetectable
6nknP-1ikfH:
undetectable		 6nknC-1ikfH:
21.91
6nknN-1ikfH:
17.73
6nknP-1ikfH:
21.91
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.
1juh QUERCETIN
2,3-DIOXYGENASE

(Aspergillus
japonicus) 		no annotation 4 LEU A 251
HIS A  21
THR A 124
TYR A  76
 None
 0.98A 6nknC-1juhA:
undetectable
6nknN-1juhA:
undetectable
6nknP-1juhA:
undetectable		 6nknC-1juhA:
21.41
6nknN-1juhA:
20.45
6nknP-1juhA:
21.41
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.
1lur ALDOSE 1-EPIMERASE

(Caenorhabditis
elegans) 		PF01263
(Aldose_epim) 		4 HIS A1163
ASP A1276
TYR A1285
HIS A1092
 None
 0.96A 6nknC-1lurA:
undetectable
6nknN-1lurA:
undetectable
6nknP-1lurA:
undetectable		 6nknC-1lurA:
21.68
6nknN-1lurA:
21.01
6nknP-1lurA:
21.68
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.
1m2w MANNITOL
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 LEU A  85
ASP A  47
THR A  46
TYR A  45
 None
 1.13A 6nknC-1m2wA:
undetectable
6nknN-1m2wA:
0.0
6nknP-1m2wA:
0.0		 6nknC-1m2wA:
18.97
6nknN-1m2wA:
22.56
6nknP-1m2wA:
18.97
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.
1ndf CARNITINE
ACETYLTRANSFERASE

(Mus musculus) 		PF00755
(Carn_acyltransf) 		4 LEU A  38
HIS A 343
ASP A 466
THR A 465
 None
152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
 1.06A 6nknC-1ndfA:
1.4
6nknN-1ndfA:
0.0
6nknP-1ndfA:
1.3		 6nknC-1ndfA:
17.22
6nknN-1ndfA:
20.15
6nknP-1ndfA:
17.22
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.
1ofm CHONDROITINASE B

(Pedobacter
heparinus) 		PF14592
(Chondroitinas_B) 		4 LEU A 484
TRP A 102
THR A 168
TRP A 474
 None
 0.99A 6nknC-1ofmA:
undetectable
6nknN-1ofmA:
undetectable
6nknP-1ofmA:
undetectable		 6nknC-1ofmA:
17.28
6nknN-1ofmA:
20.00
6nknP-1ofmA:
17.28
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.
1p16 MRNA CAPPING ENZYME
ALPHA SUBUNIT

(Candida
albicans) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		4 LEU A  77
THR A 116
TYR A 117
HIS A 180
 None
 1.10A 6nknC-1p16A:
undetectable
6nknN-1p16A:
undetectable
6nknP-1p16A:
undetectable		 6nknC-1p16A:
20.60
6nknN-1p16A:
20.40
6nknP-1p16A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pxt PEROXISOMAL
3-KETOACYL-COA
THIOLASE

(Saccharomyces
cerevisiae) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 LEU A 285
ASP A 134
THR A 130
HIS A 375
 None
 1.15A 6nknC-1pxtA:
undetectable
6nknN-1pxtA:
0.0
6nknP-1pxtA:
undetectable		 6nknC-1pxtA:
18.53
6nknN-1pxtA:
22.37
6nknP-1pxtA:
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE III

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF00115
(COX1)
PF00510
(COX3) 		4 HIS A 269
TRP A 323
TYR A 339
TRP C 106
 PC1  C 301 ( 4.2A)
None
PC1  C 301 (-3.3A)
PC1  C 301 (-4.4A)
 0.57A 6nknC-1qleA:
2.8
6nknN-1qleA:
53.9
6nknP-1qleA:
2.7		 6nknC-1qleA:
20.59
6nknN-1qleA:
53.19
6nknP-1qleA:
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.
1tp7 GENOME POLYPROTEIN

(Rhinovirus A) 		PF00680
(RdRP_1) 		4 LEU A 145
ASP A 183
THR A 184
HIS A 199
 None
 1.17A 6nknC-1tp7A:
undetectable
6nknN-1tp7A:
undetectable
6nknP-1tp7A:
undetectable		 6nknC-1tp7A:
20.82
6nknN-1tp7A:
22.08
6nknP-1tp7A:
20.82
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.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT

(Rhodococcus
jostii) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 LEU A  25
ASP A  40
THR A  39
TYR A  38
 None
 1.04A 6nknC-1uliA:
undetectable
6nknN-1uliA:
undetectable
6nknP-1uliA:
undetectable		 6nknC-1uliA:
19.61
6nknN-1uliA:
20.04
6nknP-1uliA:
19.61
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.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 LEU A 389
ASP A 381
TYR A 383
HIS A 429
 None
 1.04A 6nknC-1uokA:
undetectable
6nknN-1uokA:
undetectable
6nknP-1uokA:
undetectable		 6nknC-1uokA:
17.17
6nknN-1uokA:
19.97
6nknP-1uokA:
17.17
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.
1vbc POLIOVIRUS TYPE 3

(Enterovirus C) 		PF00073
(Rhv) 		4 LEU 3 225
HIS 3  97
ASP 3 227
THR 3 228
 None
 0.97A 6nknC-1vbc3:
undetectable
6nknN-1vbc3:
undetectable
6nknP-1vbc3:
undetectable		 6nknC-1vbc3:
22.66
6nknN-1vbc3:
18.30
6nknP-1vbc3:
22.66
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.
1vel STARVATION-INDUCED
DNA PROTECTING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		4 LEU A  35
ASP A  30
THR A  27
TYR A  28
 None
 0.99A 6nknC-1velA:
5.5
6nknN-1velA:
1.8
6nknP-1velA:
5.4		 6nknC-1velA:
17.80
6nknN-1velA:
17.45
6nknP-1velA:
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.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 HIS A 285
ASP A 327
THR A 329
HIS A 267
 None
 1.10A 6nknC-1vknA:
undetectable
6nknN-1vknA:
undetectable
6nknP-1vknA:
undetectable		 6nknC-1vknA:
22.71
6nknN-1vknA:
21.35
6nknP-1vknA:
22.71
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.
1vrm HYPOTHETICAL PROTEIN
TM1553

(Thermotoga
maritima) 		PF02424
(ApbE) 		4 LEU A  53
ASP A 303
THR A 300
TYR A 196
 None
UNL  A   4 (-3.7A)
None
None
 1.11A 6nknC-1vrmA:
undetectable
6nknN-1vrmA:
undetectable
6nknP-1vrmA:
undetectable		 6nknC-1vrmA:
20.42
6nknN-1vrmA:
20.11
6nknP-1vrmA:
20.42
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.
1wmr ISOPULLULANASE

(Aspergillus
niger) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		4 LEU A 207
ASP A 230
THR A 227
TYR A 225
 None
NAG  A1002 (-3.1A)
None
None
 0.93A 6nknC-1wmrA:
undetectable
6nknN-1wmrA:
undetectable
6nknP-1wmrA:
undetectable		 6nknC-1wmrA:
18.10
6nknN-1wmrA:
22.71
6nknP-1wmrA:
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.
1xaj 3-DEHYDROQUINATE
SYNTHASE

(Staphylococcus
aureus) 		PF01761
(DHQ_synthase) 		4 LEU A 204
HIS A 242
TYR A 180
HIS A 246
 None
CRB  A 500 ( 3.9A)
None
CRB  A 500 (-4.1A)
 1.06A 6nknC-1xajA:
undetectable
6nknN-1xajA:
undetectable
6nknP-1xajA:
undetectable		 6nknC-1xajA:
22.31
6nknN-1xajA:
22.14
6nknP-1xajA:
22.31
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.
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASP A 712
TYR A 716
TRP A 429
HIS A 431
 None
 1.16A 6nknC-1xfdA:
undetectable
6nknN-1xfdA:
undetectable
6nknP-1xfdA:
undetectable		 6nknC-1xfdA:
15.42
6nknN-1xfdA:
19.95
6nknP-1xfdA:
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 LEU A 205
HIS A 973
TYR A  98
HIS A 975
 None
 1.12A 6nknC-1yq2A:
undetectable
6nknN-1yq2A:
undetectable
6nknP-1yq2A:
undetectable		 6nknC-1yq2A:
13.83
6nknN-1yq2A:
18.96
6nknP-1yq2A:
13.83
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.
1yzw GFP-LIKE
NON-FLUORESCENT
CHROMOPROTEIN

(Heteractis
crispa) 		PF01353
(GFP) 		4 LEU A  52
THR A  19
TYR A  24
HIS A 106
 None
 1.12A 6nknC-1yzwA:
undetectable
6nknN-1yzwA:
undetectable
6nknP-1yzwA:
undetectable		 6nknC-1yzwA:
19.42
6nknN-1yzwA:
17.64
6nknP-1yzwA:
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.
1z7z HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		4 LEU 3 224
HIS 3  96
ASP 3 226
THR 3 227
 None
 0.94A 6nknC-1z7z3:
undetectable
6nknN-1z7z3:
undetectable
6nknP-1z7z3:
undetectable		 6nknC-1z7z3:
23.67
6nknN-1z7z3:
17.82
6nknP-1z7z3:
23.67
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.
1zoi ESTERASE

(Pseudomonas
putida) 		PF00561
(Abhydrolase_1) 		4 LEU A 212
ASP A 207
THR A 206
HIS A  74
 None
 1.04A 6nknC-1zoiA:
undetectable
6nknN-1zoiA:
undetectable
6nknP-1zoiA:
undetectable		 6nknC-1zoiA:
20.86
6nknN-1zoiA:
20.21
6nknP-1zoiA:
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.
1zzh CYTOCHROME C
PEROXIDASE

(Rhodobacter
capsulatus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		4 HIS A 264
ASP A 243
THR A 241
TRP A  97
 ZN  A 402 ( 3.6A)
None
None
None
 1.09A 6nknC-1zzhA:
undetectable
6nknN-1zzhA:
undetectable
6nknP-1zzhA:
undetectable		 6nknC-1zzhA:
21.13
6nknN-1zzhA:
20.08
6nknP-1zzhA:
21.13
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.
2a2a DEATH-ASSOCIATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 159
ASP A 199
TRP A 274
HIS A 272
 None
 1.12A 6nknC-2a2aA:
undetectable
6nknN-2a2aA:
undetectable
6nknP-2a2aA:
undetectable		 6nknC-2a2aA:
22.82
6nknN-2a2aA:
19.52
6nknP-2a2aA:
22.82
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.
2ap3 CONSERVED
HYPOTHETICAL PROTEIN

(Staphylococcus
aureus) 		PF10368
(YkyA) 		4 LEU A 174
ASP A 179
THR A 182
TYR A 181
 None
 1.12A 6nknC-2ap3A:
6.9
6nknN-2ap3A:
2.6
6nknP-2ap3A:
6.9		 6nknC-2ap3A:
18.18
6nknN-2ap3A:
14.98
6nknP-2ap3A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b2x ANTIBODY AQC2 FAB
ANTIBODY AQC2 FAB

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H   4
THR H  33
TYR H  32
TRP L  90
 None
 1.15A 6nknC-2b2xH:
undetectable
6nknN-2b2xH:
undetectable
6nknP-2b2xH:
undetectable		 6nknC-2b2xH:
22.43
6nknN-2b2xH:
16.86
6nknP-2b2xH:
22.43
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.
2b2x INTEGRIN ALPHA-1
ANTIBODY AQC2 FAB

(Rattus
norvegicus;
Mus musculus) 		PF00092
(VWA)
PF07654
(C1-set)
PF07686
(V-set) 		4 LEU H   4
THR H  33
TYR H  32
HIS A 261
 None
 1.13A 6nknC-2b2xH:
undetectable
6nknN-2b2xH:
undetectable
6nknP-2b2xH:
undetectable		 6nknC-2b2xH:
22.43
6nknN-2b2xH:
16.86
6nknP-2b2xH:
22.43
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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 HIS A 233
TRP A 288
ASP A 300
THR A 301
TYR A 304
 None
 0.11A 6nknC-2eijA:
1.7
6nknN-2eijA:
63.7
6nknP-2eijA:
2.2		 6nknC-2eijA:
21.00
6nknN-2eijA:
100.00
6nknP-2eijA:
21.00
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.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		4 LEU A  85
HIS A 195
ASP A 172
THR A 169
 None
 1.12A 6nknC-2ggqA:
undetectable
6nknN-2ggqA:
undetectable
6nknP-2ggqA:
undetectable		 6nknC-2ggqA:
18.55
6nknN-2ggqA:
20.15
6nknP-2ggqA:
18.55
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 TRP A 675
ASP A 685
TRP A 674
HIS A 543
 None
 1.03A 6nknC-2iukA:
2.7
6nknN-2iukA:
undetectable
6nknP-2iukA:
2.8		 6nknC-2iukA:
13.51
6nknN-2iukA:
20.50
6nknP-2iukA:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		4 LEU A 362
ASP A  86
THR A  87
HIS A  60
 None
 0.99A 6nknC-2pl5A:
undetectable
6nknN-2pl5A:
0.2
6nknP-2pl5A:
undetectable		 6nknC-2pl5A:
22.13
6nknN-2pl5A:
21.46
6nknP-2pl5A:
22.13
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.
2qgq PROTEIN TM_1862

(Thermotoga
maritima) 		PF04055
(Radical_SAM) 		4 LEU A 164
ASP A 193
THR A 194
TYR A 197
 None
 1.09A 6nknC-2qgqA:
undetectable
6nknN-2qgqA:
undetectable
6nknP-2qgqA:
undetectable		 6nknC-2qgqA:
19.74
6nknN-2qgqA:
17.72
6nknP-2qgqA:
19.74
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.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		4 LEU A 214
HIS A  57
ASP A 290
HIS A 154
 None
 1.13A 6nknC-2vatA:
undetectable
6nknN-2vatA:
undetectable
6nknP-2vatA:
undetectable		 6nknC-2vatA:
20.27
6nknN-2vatA:
21.62
6nknP-2vatA:
20.27
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.
2vdj HOMOSERINE
O-SUCCINYLTRANSFERAS
E

(Bacillus cereus) 		PF04204
(HTS) 		4 LEU A  54
HIS A 152
THR A 138
HIS A 151
 None
 1.11A 6nknC-2vdjA:
undetectable
6nknN-2vdjA:
undetectable
6nknP-2vdjA:
undetectable		 6nknC-2vdjA:
20.94
6nknN-2vdjA:
20.08
6nknP-2vdjA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vob TRYPANOTHIONE
SYNTHETASE

(Leishmania
major) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 LEU A 493
ASP A 466
THR A 465
TYR A 468
 None
 0.91A 6nknC-2vobA:
undetectable
6nknN-2vobA:
undetectable
6nknP-2vobA:
undetectable		 6nknC-2vobA:
15.17
6nknN-2vobA:
21.23
6nknP-2vobA:
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.
2xhg TYROCIDINE
SYNTHETASE A

(Brevibacillus
brevis) 		PF00668
(Condensation) 		4 LEU A 370
HIS A 116
THR A 392
HIS A  36
 None
 1.16A 6nknC-2xhgA:
undetectable
6nknN-2xhgA:
undetectable
6nknP-2xhgA:
undetectable		 6nknC-2xhgA:
19.86
6nknN-2xhgA:
20.56
6nknP-2xhgA:
19.86
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.
2y6v PEROXISOMAL MEMBRANE
PROTEIN LPX1

(Saccharomyces
cerevisiae) 		PF12697
(Abhydrolase_6) 		4 LEU A 310
TRP A 114
ASP A 155
HIS A  59
 None
 1.08A 6nknC-2y6vA:
undetectable
6nknN-2y6vA:
undetectable
6nknP-2y6vA:
undetectable		 6nknC-2y6vA:
19.75
6nknN-2y6vA:
22.43
6nknP-2y6vA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afl OLIGO ALGINATE LYASE

(Agrobacterium
fabrum) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		4 LEU A 228
HIS A 479
TRP A 143
HIS A 162
 None
 1.17A 6nknC-3aflA:
2.4
6nknN-3aflA:
undetectable
6nknP-3aflA:
2.4		 6nknC-3aflA:
13.68
6nknN-3aflA:
20.15
6nknP-3aflA:
13.68
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.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A  85
HIS A 461
THR A 139
HIS A  94
 None
C2O  A 702 (-3.5A)
None
C2O  A 702 ( 3.2A)
 1.16A 6nknC-3aw5A:
undetectable
6nknN-3aw5A:
undetectable
6nknP-3aw5A:
undetectable		 6nknC-3aw5A:
18.91
6nknN-3aw5A:
22.18
6nknP-3aw5A:
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.
3bqr DEATH-ASSOCIATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 159
ASP A 199
TRP A 274
HIS A 272
 None
 1.14A 6nknC-3bqrA:
2.1
6nknN-3bqrA:
undetectable
6nknP-3bqrA:
2.3		 6nknC-3bqrA:
18.12
6nknN-3bqrA:
18.79
6nknP-3bqrA:
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 LEU A 161
TRP A 136
ASP A 177
THR A 176
 None
 1.16A 6nknC-3decA:
undetectable
6nknN-3decA:
undetectable
6nknP-3decA:
undetectable		 6nknC-3decA:
12.09
6nknN-3decA:
18.53
6nknP-3decA:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dqp OXIDOREDUCTASE YLBE

(Lactococcus
lactis) 		PF13460
(NAD_binding_10) 		4 LEU A  16
ASP A 179
THR A 180
HIS A 189
 None
 1.03A 6nknC-3dqpA:
undetectable
6nknN-3dqpA:
undetectable
6nknP-3dqpA:
undetectable		 6nknC-3dqpA:
20.86
6nknN-3dqpA:
17.95
6nknP-3dqpA:
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.
3e0j DNA POLYMERASE
SUBUNIT DELTA-2

(Homo sapiens) 		PF04042
(DNA_pol_E_B) 		4 LEU A 133
HIS A  72
TRP A  73
ASP A 149
 None
 0.86A 6nknC-3e0jA:
undetectable
6nknN-3e0jA:
undetectable
6nknP-3e0jA:
undetectable		 6nknC-3e0jA:
18.12
6nknN-3e0jA:
22.05
6nknP-3e0jA:
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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 HIS A 176
ASP A 277
TYR A 129
HIS A 155
 EPE  A 401 (-4.0A)
None
None
EPE  A 401 (-4.4A)
 1.11A 6nknC-3ec7A:
undetectable
6nknN-3ec7A:
undetectable
6nknP-3ec7A:
undetectable		 6nknC-3ec7A:
19.29
6nknN-3ec7A:
20.73
6nknP-3ec7A:
19.29
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.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 LEU A  23
ASP A  38
THR A  37
TYR A  36
 None
 1.02A 6nknC-3eqqA:
undetectable
6nknN-3eqqA:
undetectable
6nknP-3eqqA:
undetectable		 6nknC-3eqqA:
18.97
6nknN-3eqqA:
21.73
6nknP-3eqqA:
18.97
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.
3fhn PROTEIN TRANSPORT
PROTEIN TIP20

(Saccharomyces
cerevisiae) 		PF04437
(RINT1_TIP1) 		4 LEU A 661
ASP A 654
TYR A 653
HIS A 643
 None
 1.15A 6nknC-3fhnA:
3.8
6nknN-3fhnA:
undetectable
6nknP-3fhnA:
3.7		 6nknC-3fhnA:
16.62
6nknN-3fhnA:
20.97
6nknP-3fhnA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2s PUTATIVE NADH-FLAVIN
REDUCTASE

(Lactobacillus
paracasei) 		PF13460
(NAD_binding_10) 		4 LEU A 200
ASP A  64
THR A  98
HIS A  88
 None
 1.11A 6nknC-3h2sA:
undetectable
6nknN-3h2sA:
undetectable
6nknP-3h2sA:
undetectable		 6nknC-3h2sA:
22.46
6nknN-3h2sA:
17.81
6nknP-3h2sA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h31 HIGH POTENTIAL
IRON-SULFUR PROTEIN

(Rhodothermus
marinus) 		PF01355
(HIPIP) 		4 LEU A  11
HIS A  27
ASP A   7
THR A   6
 None
 1.05A 6nknC-3h31A:
undetectable
6nknN-3h31A:
undetectable
6nknP-3h31A:
undetectable		 6nknC-3h31A:
16.33
6nknN-3h31A:
11.25
6nknP-3h31A:
16.33
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.
3h74 PYRIDOXAL KINASE

(Lactobacillus
plantarum) 		PF08543
(Phos_pyr_kin) 		4 LEU A  77
TRP A 239
ASP A 213
THR A 214
 None
 1.15A 6nknC-3h74A:
undetectable
6nknN-3h74A:
undetectable
6nknP-3h74A:
undetectable		 6nknC-3h74A:
21.50
6nknN-3h74A:
21.65
6nknP-3h74A:
21.50
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.
3i09 PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Burkholderia
mallei) 		PF13458
(Peripla_BP_6) 		4 LEU A  97
TRP A 287
THR A 311
TRP A 276
 None
 1.02A 6nknC-3i09A:
undetectable
6nknN-3i09A:
undetectable
6nknP-3i09A:
undetectable		 6nknC-3i09A:
22.07
6nknN-3i09A:
21.43
6nknP-3i09A:
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.
3i1i HOMOSERINE
O-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		4 LEU A 366
ASP A  79
THR A  80
HIS A  53
 None
 1.02A 6nknC-3i1iA:
undetectable
6nknN-3i1iA:
undetectable
6nknP-3i1iA:
undetectable		 6nknC-3i1iA:
20.51
6nknN-3i1iA:
19.42
6nknP-3i1iA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Vibrio cholerae) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		4 LEU A 207
ASP A 218
TYR A 220
HIS A  93
 None
 1.17A 6nknC-3i99A:
undetectable
6nknN-3i99A:
undetectable
6nknP-3i99A:
undetectable		 6nknC-3i99A:
20.60
6nknN-3i99A:
20.27
6nknP-3i99A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3il7 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Staphylococcus
aureus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 LEU A  26
ASP A 147
THR A 146
HIS A 238
 None
 1.08A 6nknC-3il7A:
undetectable
6nknN-3il7A:
undetectable
6nknP-3il7A:
undetectable		 6nknC-3il7A:
19.12
6nknN-3il7A:
22.86
6nknP-3il7A:
19.12
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.
3izy TRANSLATION
INITIATION FACTOR
IF-2, MITOCHONDRIAL

(Bos taurus) 		PF00009
(GTP_EFTU)
PF11987
(IF-2) 		4 LEU P 326
HIS P 238
ASP P 198
THR P 194
 None
 1.07A 6nknC-3izyP:
undetectable
6nknN-3izyP:
undetectable
6nknP-3izyP:
undetectable		 6nknC-3izyP:
18.22
6nknN-3izyP:
21.85
6nknP-3izyP:
18.22
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11

(Schizosaccharomyces
pombe) 		PF13087
(AAA_12)
PF16399
(Aquarius_N) 		4 LEU X 690
ASP X 714
THR X 701
TYR X 700
 None
 1.09A 6nknC-3jb9X:
undetectable
6nknN-3jb9X:
undetectable
6nknP-3jb9X:
undetectable		 6nknC-3jb9X:
11.15
6nknN-3jb9X:
16.83
6nknP-3jb9X:
11.15
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.
3jru PROBABLE CYTOSOL
AMINOPEPTIDASE

(Xanthomonas
oryzae) 		no annotation 4 LEU B 159
TRP B 126
ASP B 136
THR B 133
 None
 1.06A 6nknC-3jruB:
undetectable
6nknN-3jruB:
undetectable
6nknP-3jruB:
undetectable		 6nknC-3jruB:
21.27
6nknN-3jruB:
22.30
6nknP-3jruB:
21.27
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.
3js4 SUPEROXIDE DISMUTASE

(Anaplasma
phagocytophilum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 LEU A  39
ASP A  34
THR A  31
TYR A  32
 None
 1.00A 6nknC-3js4A:
undetectable
6nknN-3js4A:
undetectable
6nknP-3js4A:
undetectable		 6nknC-3js4A:
22.68
6nknN-3js4A:
18.43
6nknP-3js4A:
22.68
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 LEU A 429
HIS A 365
TYR A 384
HIS A 350
 None
 1.09A 6nknC-3lv4A:
undetectable
6nknN-3lv4A:
undetectable
6nknP-3lv4A:
undetectable		 6nknC-3lv4A:
20.65
6nknN-3lv4A:
22.18
6nknP-3lv4A:
20.65
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.
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin) 		4 LEU A 648
ASP A 662
THR A 634
TYR A 635
 None
 1.12A 6nknC-3ml3A:
undetectable
6nknN-3ml3A:
undetectable
6nknP-3ml3A:
undetectable		 6nknC-3ml3A:
21.48
6nknN-3ml3A:
18.96
6nknP-3ml3A:
21.48
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.
3n0q PUTATIVE
AROMATIC-RING
HYDROXYLATING
DIOXYGENASE

(Ruegeria sp.
TM1040) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 LEU A   8
ASP A  25
THR A  24
TYR A  23
 None
 0.90A 6nknC-3n0qA:
undetectable
6nknN-3n0qA:
undetectable
6nknP-3n0qA:
undetectable		 6nknC-3n0qA:
21.27
6nknN-3n0qA:
22.04
6nknP-3n0qA:
21.27
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.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		4 LEU A 133
HIS A 198
THR A 147
HIS A 277
 None
FE2  A 501 (-3.3A)
None
NAD  A1385 ( 3.6A)
 1.09A 6nknC-3ox4A:
2.4
6nknN-3ox4A:
undetectable
6nknP-3ox4A:
2.4		 6nknC-3ox4A:
20.96
6nknN-3ox4A:
21.52
6nknP-3ox4A:
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.
3p9v UNCHARACTERIZED
PROTEIN

(Marinobacter
hydrocarbonoclasticus) 		PF10604
(Polyketide_cyc2) 		4 LEU A  13
ASP A 143
THR A 144
TYR A 145
 None
 1.15A 6nknC-3p9vA:
undetectable
6nknN-3p9vA:
undetectable
6nknP-3p9vA:
undetectable		 6nknC-3p9vA:
19.92
6nknN-3p9vA:
14.53
6nknP-3p9vA:
19.92
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.
3qk7 TRANSCRIPTIONAL
REGULATORS

(Yersinia pestis) 		PF00532
(Peripla_BP_1) 		4 LEU A 258
ASP A   7
THR A   6
HIS A  59
 None
 1.13A 6nknC-3qk7A:
undetectable
6nknN-3qk7A:
undetectable
6nknP-3qk7A:
undetectable		 6nknC-3qk7A:
20.26
6nknN-3qk7A:
20.19
6nknP-3qk7A:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r11 ENZYME OF ENOLASE
SUPERFAMILY

(Francisella
philomiragia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A  61
ASP A  59
THR A  53
TRP A 327
 None
 0.96A 6nknC-3r11A:
undetectable
6nknN-3r11A:
undetectable
6nknP-3r11A:
undetectable		 6nknC-3r11A:
18.91
6nknN-3r11A:
21.70
6nknP-3r11A:
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.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Haemophilus
influenzae) 		PF00275
(EPSP_synthase) 		4 LEU A  41
ASP A 195
THR A 196
HIS A 127
 None
None
None
EPZ  A 508 (-4.7A)
 1.06A 6nknC-3sweA:
undetectable
6nknN-3sweA:
undetectable
6nknP-3sweA:
undetectable		 6nknC-3sweA:
20.00
6nknN-3sweA:
21.04
6nknP-3sweA:
20.00
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.
3v4p INTEGRIN ALPHA-4

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 LEU A  94
THR A 141
TRP A  33
HIS A  28
 None
None
None
NAG  A 605 ( 4.4A)
 1.06A 6nknC-3v4pA:
undetectable
6nknN-3v4pA:
undetectable
6nknP-3v4pA:
undetectable		 6nknC-3v4pA:
17.92
6nknN-3v4pA:
22.31
6nknP-3v4pA:
17.92
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.
4dgq NON-HEME
CHLOROPEROXIDASE

(Burkholderia
cenocepacia) 		PF00561
(Abhydrolase_1) 		4 LEU A 212
ASP A 207
THR A 206
HIS A  74
 None
 1.00A 6nknC-4dgqA:
undetectable
6nknN-4dgqA:
undetectable
6nknP-4dgqA:
undetectable		 6nknC-4dgqA:
20.20
6nknN-4dgqA:
18.30
6nknP-4dgqA:
20.20
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		4 HIS A 191
ASP A 223
THR A 222
TYR A 221
 None
 1.13A 6nknC-4el8A:
undetectable
6nknN-4el8A:
undetectable
6nknP-4el8A:
undetectable		 6nknC-4el8A:
17.87
6nknN-4el8A:
20.22
6nknP-4el8A:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g0r CAPSID PROTEIN VP1

(Rodent
protoparvovirus
1) 		PF00740
(Parvo_coat) 		4 LEU A 184
THR A 274
TYR A 275
HIS A  65
 None
 1.10A 6nknC-4g0rA:
undetectable
6nknN-4g0rA:
undetectable
6nknP-4g0rA:
undetectable		 6nknC-4g0rA:
16.97
6nknN-4g0rA:
20.65
6nknP-4g0rA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		4 LEU A 348
ASP A 465
THR A 466
TYR A 469
 None
 0.92A 6nknC-4onqA:
undetectable
6nknN-4onqA:
undetectable
6nknP-4onqA:
undetectable		 6nknC-4onqA:
19.61
6nknN-4onqA:
21.07
6nknP-4onqA:
19.61
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.
4orz PROTEIN NEF
SINGLE DOMAIN
ANTIBODY SDAB19

(Human
immunodeficiency
virus 1;
Lama glama) 		PF00469
(F-protein)
PF07686
(V-set) 		4 LEU B 193
ASP C  60
THR C  59
TYR C  58
 None
 1.16A 6nknC-4orzB:
undetectable
6nknN-4orzB:
undetectable
6nknP-4orzB:
undetectable		 6nknC-4orzB:
18.94
6nknN-4orzB:
13.41
6nknP-4orzB:
18.94
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.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		4 LEU A 143
TRP A  84
ASP A 131
TYR A 130
 None
 1.09A 6nknC-4qwwA:
undetectable
6nknN-4qwwA:
0.2
6nknP-4qwwA:
undetectable		 6nknC-4qwwA:
18.44
6nknN-4qwwA:
22.47
6nknP-4qwwA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		4 LEU A  66
ASP A  21
THR A  20
TYR A  19
 None
None
None
SAH  A 302 ( 4.1A)
 1.09A 6nknC-4r6wA:
undetectable
6nknN-4r6wA:
undetectable
6nknP-4r6wA:
undetectable		 6nknC-4r6wA:
21.48
6nknN-4r6wA:
18.31
6nknP-4r6wA:
21.48
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.
4raj HEME OXYGENASE

(Chlamydomonas
reinhardtii) 		PF01126
(Heme_oxygenase) 		4 LEU A  17
HIS A 125
ASP A 205
HIS A 217
 None
 1.06A 6nknC-4rajA:
undetectable
6nknN-4rajA:
undetectable
6nknP-4rajA:
undetectable		 6nknC-4rajA:
19.34
6nknN-4rajA:
18.59
6nknP-4rajA:
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.
4ua3 UNCHARACTERIZED
N-ACETYLTRANSFERASE
C825.04C

(Schizosaccharomyces
pombe) 		PF00583
(Acetyltransf_1) 		4 LEU A  85
ASP A 106
THR A 107
HIS A 174
 None
 0.93A 6nknC-4ua3A:
undetectable
6nknN-4ua3A:
undetectable
6nknP-4ua3A:
undetectable		 6nknC-4ua3A:
20.36
6nknN-4ua3A:
16.40
6nknP-4ua3A:
20.36
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.
4xlt RESPONSE REGULATOR
RECEIVER PROTEIN

(Dyadobacter
fermentans) 		PF00072
(Response_reg) 		4 LEU A 123
HIS A  41
ASP A  51
THR A  52
 None
 0.96A 6nknC-4xltA:
undetectable
6nknN-4xltA:
undetectable
6nknP-4xltA:
undetectable		 6nknC-4xltA:
18.29
6nknN-4xltA:
12.73
6nknP-4xltA:
18.29
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.
4yoo RETINOBLASTOMA-LIKE
PROTEIN
1,RETINOBLASTOMA-LIK
E PROTEIN 1

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		4 LEU A 810
HIS A 839
ASP A 805
HIS A 877
 None
 1.11A 6nknC-4yooA:
2.2
6nknN-4yooA:
undetectable
6nknP-4yooA:
undetectable		 6nknC-4yooA:
21.08
6nknN-4yooA:
20.71
6nknP-4yooA:
21.08
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.
5a8q PUTATIVE RETAINING
B-GLYCOSIDASE

(Saccharophagus
degradans) 		PF00150
(Cellulase) 		4 TRP A  85
ASP A 117
TYR A 119
TRP A 129
 None
None
None
SO4  A1371 (-4.0A)
 1.01A 6nknC-5a8qA:
undetectable
6nknN-5a8qA:
undetectable
6nknP-5a8qA:
undetectable		 6nknC-5a8qA:
18.73
6nknN-5a8qA:
22.09
6nknP-5a8qA:
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 LEU A 620
HIS A 199
ASP A 235
THR A 502
 None
 0.86A 6nknC-5az4A:
undetectable
6nknN-5az4A:
undetectable
6nknP-5az4A:
undetectable		 6nknC-5az4A:
15.61
6nknN-5az4A:
21.03
6nknP-5az4A:
15.61
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.
5grs STEROL REGULATORY
ELEMENT-BINDING
PROTEIN
CLEAVAGE-ACTIVATING
PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 4 LEU A 674
ASP A 727
THR A 720
TRP A 773
 None
 1.16A 6nknC-5grsA:
undetectable
6nknN-5grsA:
undetectable
6nknP-5grsA:
undetectable		 6nknC-5grsA:
20.62
6nknN-5grsA:
19.81
6nknP-5grsA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h46 DNA PROTECTION
DURING STARVATION
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		4 LEU A  35
ASP A  30
THR A  27
TYR A  28
 None
 1.17A 6nknC-5h46A:
4.1
6nknN-5h46A:
1.5
6nknP-5h46A:
4.1		 6nknC-5h46A:
19.15
6nknN-5h46A:
13.19
6nknP-5h46A:
19.15
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 HIS A 386
ASP A 213
THR A 212
HIS A 388
 COH  A 602 (-3.7A)
None
COH  A 602 (-2.4A)
COH  A 602 (-3.3A)
 1.16A 6nknC-5ikrA:
undetectable
6nknN-5ikrA:
undetectable
6nknP-5ikrA:
undetectable		 6nknC-5ikrA:
20.62
6nknN-5ikrA:
21.04
6nknP-5ikrA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5irm UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF05729
(NACHT)
PF13516
(LRR_6) 		4 LEU A 462
ASP A 492
THR A 491
TYR A 494
 None
 1.00A 6nknC-5irmA:
undetectable
6nknN-5irmA:
undetectable
6nknP-5irmA:
undetectable		 6nknC-5irmA:
15.38
6nknN-5irmA:
20.45
6nknP-5irmA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jkj ESTERASE E22

(uncultured
bacterium) 		PF00561
(Abhydrolase_1) 		4 LEU A 391
ASP A 102
THR A 103
HIS A  76
 None
 1.16A 6nknC-5jkjA:
undetectable
6nknN-5jkjA:
undetectable
6nknP-5jkjA:
undetectable		 6nknC-5jkjA:
20.47
6nknN-5jkjA:
21.88
6nknP-5jkjA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxl FLAGELLAR HOOK
PROTEIN FLGE

(Campylobacter
jejuni) 		PF00460
(Flg_bb_rod)
PF06429
(Flg_bbr_C)
PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 LEU A 238
HIS A 198
ASP A 234
THR A 482
 None
 1.07A 6nknC-5jxlA:
2.3
6nknN-5jxlA:
1.1
6nknP-5jxlA:
2.3		 6nknC-5jxlA:
15.73
6nknN-5jxlA:
20.42
6nknP-5jxlA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5na7 PUTATIVE
DIPEPTIDYL-PEPTIDASE
III

(Bacteroides
thetaiotaomicron) 		no annotation 4 LEU A 241
HIS A 117
ASP A 193
TYR A 191
 None
 1.05A 6nknC-5na7A:
undetectable
6nknN-5na7A:
undetectable
6nknP-5na7A:
undetectable		 6nknC-5na7A:
15.94
6nknN-5na7A:
21.17
6nknP-5na7A:
15.94
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.
5nv8 EF-P ARGININE 32
RHAMNOSYL-TRANSFERAS
E

(Pseudomonas
putida) 		PF10093
(DUF2331) 		4 LEU A 306
TRP A 345
ASP A 318
TRP A 338
 None
 1.09A 6nknC-5nv8A:
undetectable
6nknN-5nv8A:
undetectable
6nknP-5nv8A:
undetectable		 6nknC-5nv8A:
19.60
6nknN-5nv8A:
20.56
6nknP-5nv8A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oh6 INTERAPTIN

(Legionella
pneumophila) 		no annotation 4 HIS A  61
ASP A  47
THR A  46
TRP A  65
 None
 1.16A 6nknC-5oh6A:
2.9
6nknN-5oh6A:
1.1
6nknP-5oh6A:
undetectable		 6nknC-5oh6A:
20.00
6nknN-5oh6A:
16.89
6nknP-5oh6A:
20.00
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		4 ASP A 178
THR A 179
TYR A 199
HIS A 111
 None
 1.08A 6nknC-5svcA:
undetectable
6nknN-5svcA:
undetectable
6nknP-5svcA:
undetectable		 6nknC-5svcA:
14.42
6nknN-5svcA:
20.03
6nknP-5svcA:
14.42
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 TRP A 649
ASP A 659
TRP A 648
HIS A 517
 None
 1.00A 6nknC-5tr0A:
undetectable
6nknN-5tr0A:
undetectable
6nknP-5tr0A:
undetectable		 6nknC-5tr0A:
14.81
6nknN-5tr0A:
21.71
6nknP-5tr0A:
14.81
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.
5ufy ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 4 LEU A 451
ASP A 588
THR A 589
TYR A 586
 None
 1.15A 6nknC-5ufyA:
undetectable
6nknN-5ufyA:
undetectable
6nknP-5ufyA:
undetectable		 6nknC-5ufyA:
21.77
6nknN-5ufyA:
17.83
6nknP-5ufyA:
21.77
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.
5ug1 ACYLTRANSFERASE

(Streptococcus
pneumoniae) 		no annotation 4 LEU A 451
ASP A 588
THR A 589
TYR A 586
 None
 1.17A 6nknC-5ug1A:
undetectable
6nknN-5ug1A:
undetectable
6nknP-5ug1A:
undetectable		 6nknC-5ug1A:
17.49
6nknN-5ug1A:
15.92
6nknP-5ug1A:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ukh UNCHARACTERIZED
PROTEIN

(Streptococcus
intermedius) 		no annotation 4 LEU A 253
ASP A 270
TYR A 271
HIS A 404
 None
None
None
CA  A 601 ( 4.8A)
 0.94A 6nknC-5ukhA:
undetectable
6nknN-5ukhA:
undetectable
6nknP-5ukhA:
undetectable		 6nknC-5ukhA:
19.51
6nknN-5ukhA:
20.30
6nknP-5ukhA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		4 LEU A 368
ASP A  91
THR A  92
HIS A  65
 None
 0.98A 6nknC-5w8oA:
undetectable
6nknN-5w8oA:
undetectable
6nknP-5w8oA:
undetectable		 6nknC-5w8oA:
19.78
6nknN-5w8oA:
20.38
6nknP-5w8oA:
19.78
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.
5wrj PROTEIN-TYROSINE
SULFOTRANSFERASE 1

(Homo sapiens) 		PF13469
(Sulfotransfer_3) 		4 LEU A 321
ASP A 327
TRP A 249
HIS A 245
 None
 0.94A 6nknC-5wrjA:
undetectable
6nknN-5wrjA:
undetectable
6nknP-5wrjA:
undetectable		 6nknC-5wrjA:
21.63
6nknN-5wrjA:
18.38
6nknP-5wrjA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 4 ASP A 519
THR A 518
TYR A 521
HIS A 548
 None
 1.10A 6nknC-5y9dA:
2.1
6nknN-5y9dA:
0.0
6nknP-5y9dA:
2.1		 6nknC-5y9dA:
undetectable
6nknN-5y9dA:
undetectable
6nknP-5y9dA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN

(Proteus
mirabilis) 		no annotation 4 LEU A 205
TRP A  46
ASP A 233
THR A 232
 None
 0.87A 6nknC-6c29A:
undetectable
6nknN-6c29A:
undetectable
6nknP-6c29A:
undetectable		 6nknC-6c29A:
undetectable
6nknN-6c29A:
undetectable
6nknP-6c29A:
undetectable