SIMILAR PATTERNS OF AMINO ACIDS FOR 6NMF_C_CHDC306_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 ASP A 134
TYR A 133
HIS A 432
LEU A 146
 None
 1.19A 6nmfA-1c2oA:
undetectable
6nmfC-1c2oA:
0.0
6nmfP-1c2oA:
0.1		 6nmfA-1c2oA:
23.41
6nmfC-1c2oA:
17.50
6nmfP-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 HIS A 340
ASP A 347
TYR A 348
LEU A 223
 None
 1.15A 6nmfA-1cb8A:
0.1
6nmfC-1cb8A:
0.0
6nmfP-1cb8A:
0.0		 6nmfA-1cb8A:
21.65
6nmfC-1cb8A:
16.94
6nmfP-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.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 THR A 172
TRP A  65
HIS A  59
LEU A 315
 NAJ  A1361 (-3.4A)
None
NAJ  A1361 (-3.9A)
None
 1.06A 6nmfA-1h2bA:
0.0
6nmfC-1h2bA:
0.0
6nmfP-1h2bA:
undetectable		 6nmfA-1h2bA:
21.42
6nmfC-1h2bA:
19.62
6nmfP-1h2bA:
19.62
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.
1ikf IGG1-KAPPA R45-45-11
FAB (HEAVY CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP H 103
THR H 104
TYR H 109
LEU H 101
 None
 1.16A 6nmfA-1ikfH:
undetectable
6nmfC-1ikfH:
undetectable
6nmfP-1ikfH:
undetectable		 6nmfA-1ikfH:
17.73
6nmfC-1ikfH:
21.91
6nmfP-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 HIS A  21
THR A 124
TYR A  76
LEU A 251
 None
 1.03A 6nmfA-1juhA:
undetectable
6nmfC-1juhA:
undetectable
6nmfP-1juhA:
undetectable		 6nmfA-1juhA:
20.45
6nmfC-1juhA:
21.41
6nmfP-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
 1.05A 6nmfA-1lurA:
undetectable
6nmfC-1lurA:
undetectable
6nmfP-1lurA:
undetectable		 6nmfA-1lurA:
21.01
6nmfC-1lurA:
21.68
6nmfP-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 ASP A  47
THR A  46
TYR A  45
LEU A  85
 None
 1.15A 6nmfA-1m2wA:
0.0
6nmfC-1m2wA:
0.0
6nmfP-1m2wA:
0.0		 6nmfA-1m2wA:
22.56
6nmfC-1m2wA:
18.97
6nmfP-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 HIS A 343
ASP A 466
THR A 465
LEU A  38
 152  A5001 (-3.9A)
None
152  A5001 (-2.8A)
None
 1.10A 6nmfA-1ndfA:
2.7
6nmfC-1ndfA:
0.8
6nmfP-1ndfA:
1.4		 6nmfA-1ndfA:
20.15
6nmfC-1ndfA:
17.22
6nmfP-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.
1ozn RETICULON 4 RECEPTOR

(Homo sapiens) 		PF13855
(LRR_8) 		4 ASP A 205
THR A 181
HIS A 136
LEU A 225
 None
 1.14A 6nmfA-1oznA:
undetectable
6nmfC-1oznA:
undetectable
6nmfP-1oznA:
undetectable		 6nmfA-1oznA:
19.64
6nmfC-1oznA:
23.10
6nmfP-1oznA:
23.10
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.
1p16 MRNA CAPPING ENZYME
ALPHA SUBUNIT

(Candida
albicans) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		4 THR A 116
TYR A 117
HIS A 180
LEU A  77
 None
 1.06A 6nmfA-1p16A:
undetectable
6nmfC-1p16A:
undetectable
6nmfP-1p16A:
undetectable		 6nmfA-1p16A:
20.40
6nmfC-1p16A:
20.60
6nmfP-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 ASP A 134
THR A 130
HIS A 375
LEU A 285
 None
 1.12A 6nmfA-1pxtA:
0.0
6nmfC-1pxtA:
undetectable
6nmfP-1pxtA:
undetectable		 6nmfA-1pxtA:
22.37
6nmfC-1pxtA:
18.53
6nmfP-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.
1r4n AMYLOID BETA
PRECURSOR
PROTEIN-BINDING
PROTEIN 1
UBIQUITIN-ACTIVATING
ENZYME E1C

(Homo sapiens;
Homo sapiens) 		PF00899
(ThiF)
PF00899
(ThiF)
PF08825
(E2_bind) 		4 HIS B  19
THR A 155
TYR A 156
LEU A 425
 None
 1.21A 6nmfA-1r4nB:
undetectable
6nmfC-1r4nB:
undetectable
6nmfP-1r4nB:
undetectable		 6nmfA-1r4nB:
20.70
6nmfC-1r4nB:
18.99
6nmfP-1r4nB:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT

(Rhodococcus
jostii) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ASP A  40
THR A  39
TYR A  38
LEU A  25
 None
 1.10A 6nmfA-1uliA:
0.0
6nmfC-1uliA:
undetectable
6nmfP-1uliA:
undetectable		 6nmfA-1uliA:
20.04
6nmfC-1uliA:
19.61
6nmfP-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 ASP A 381
TYR A 383
HIS A 429
LEU A 389
 None
 1.10A 6nmfA-1uokA:
undetectable
6nmfC-1uokA:
undetectable
6nmfP-1uokA:
0.0		 6nmfA-1uokA:
19.97
6nmfC-1uokA:
17.17
6nmfP-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 HIS 3  97
ASP 3 227
THR 3 228
LEU 3 225
 None
 1.00A 6nmfA-1vbc3:
undetectable
6nmfC-1vbc3:
undetectable
6nmfP-1vbc3:
undetectable		 6nmfA-1vbc3:
18.30
6nmfC-1vbc3:
22.66
6nmfP-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 ASP A  30
THR A  27
TYR A  28
LEU A  35
 None
 0.91A 6nmfA-1velA:
undetectable
6nmfC-1velA:
5.4
6nmfP-1velA:
5.4		 6nmfA-1velA:
17.45
6nmfC-1velA:
17.80
6nmfP-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
 1.07A 6nmfA-1vknA:
undetectable
6nmfC-1vknA:
undetectable
6nmfP-1vknA:
undetectable		 6nmfA-1vknA:
21.35
6nmfC-1vknA:
22.71
6nmfP-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 ASP A 303
THR A 300
TYR A 196
LEU A  53
 UNL  A   4 (-3.7A)
None
None
None
 1.15A 6nmfA-1vrmA:
undetectable
6nmfC-1vrmA:
undetectable
6nmfP-1vrmA:
undetectable		 6nmfA-1vrmA:
20.11
6nmfC-1vrmA:
20.42
6nmfP-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.
1xaj 3-DEHYDROQUINATE
SYNTHASE

(Staphylococcus
aureus) 		PF01761
(DHQ_synthase) 		4 HIS A 242
TYR A 180
HIS A 246
LEU A 204
 CRB  A 500 ( 3.9A)
None
CRB  A 500 (-4.1A)
None
 1.13A 6nmfA-1xajA:
undetectable
6nmfC-1xajA:
undetectable
6nmfP-1xajA:
undetectable		 6nmfA-1xajA:
22.14
6nmfC-1xajA:
22.31
6nmfP-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
 1.06A 6nmfA-1xfdA:
undetectable
6nmfC-1xfdA:
undetectable
6nmfP-1xfdA:
undetectable		 6nmfA-1xfdA:
19.95
6nmfC-1xfdA:
15.42
6nmfP-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 HIS A 973
TYR A  98
HIS A 975
LEU A 205
 None
 1.16A 6nmfA-1yq2A:
undetectable
6nmfC-1yq2A:
undetectable
6nmfP-1yq2A:
undetectable		 6nmfA-1yq2A:
18.96
6nmfC-1yq2A:
13.83
6nmfP-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 THR A  19
TYR A  24
HIS A 106
LEU A  52
 None
 1.11A 6nmfA-1yzwA:
undetectable
6nmfC-1yzwA:
undetectable
6nmfP-1yzwA:
undetectable		 6nmfA-1yzwA:
17.64
6nmfC-1yzwA:
19.42
6nmfP-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 HIS 3  96
ASP 3 226
THR 3 227
LEU 3 224
 None
 0.95A 6nmfA-1z7z3:
undetectable
6nmfC-1z7z3:
undetectable
6nmfP-1z7z3:
undetectable		 6nmfA-1z7z3:
17.82
6nmfC-1z7z3:
23.67
6nmfP-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 ASP A 207
THR A 206
HIS A  74
LEU A 212
 None
 1.09A 6nmfA-1zoiA:
undetectable
6nmfC-1zoiA:
undetectable
6nmfP-1zoiA:
undetectable		 6nmfA-1zoiA:
20.21
6nmfC-1zoiA:
20.86
6nmfP-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
 1.11A 6nmfA-1zzhA:
undetectable
6nmfC-1zzhA:
undetectable
6nmfP-1zzhA:
undetectable		 6nmfA-1zzhA:
20.08
6nmfC-1zzhA:
21.13
6nmfP-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.
2ap3 CONSERVED
HYPOTHETICAL PROTEIN

(Staphylococcus
aureus) 		PF10368
(YkyA) 		4 ASP A 179
THR A 182
TYR A 181
LEU A 174
 None
 1.05A 6nmfA-2ap3A:
2.0
6nmfC-2ap3A:
6.9
6nmfP-2ap3A:
6.9		 6nmfA-2ap3A:
14.98
6nmfC-2ap3A:
18.18
6nmfP-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 THR H  33
TYR H  32
TRP L  90
LEU H   4
 None
 1.16A 6nmfA-2b2xH:
undetectable
6nmfC-2b2xH:
undetectable
6nmfP-2b2xH:
undetectable		 6nmfA-2b2xH:
16.86
6nmfC-2b2xH:
22.43
6nmfP-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.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 THR A 107
TYR A 138
TRP A 260
LEU A 140
 None
None
LFR  A1481 (-4.1A)
None
 1.18A 6nmfA-2cgjA:
undetectable
6nmfC-2cgjA:
undetectable
6nmfP-2cgjA:
undetectable		 6nmfA-2cgjA:
22.18
6nmfC-2cgjA:
19.22
6nmfP-2cgjA:
19.22
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.
2d16 HYPOTHETICAL PROTEIN
PH1918

(Pyrococcus
horikoshii) 		PF04008
(Adenosine_kin) 		4 HIS A  81
ASP A  31
THR A  28
LEU A  36
 None
 0.99A 6nmfA-2d16A:
undetectable
6nmfC-2d16A:
undetectable
6nmfP-2d16A:
undetectable		 6nmfA-2d16A:
13.84
6nmfC-2d16A:
18.25
6nmfP-2d16A:
18.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		4 HIS A 233
ASP A 300
THR A 301
TYR A 304
 None
 0.16A 6nmfA-2eijA:
64.1
6nmfC-2eijA:
1.7
6nmfP-2eijA:
1.7		 6nmfA-2eijA:
100.00
6nmfC-2eijA:
21.00
6nmfP-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 HIS A 195
ASP A 172
THR A 169
LEU A  85
 None
 1.17A 6nmfA-2ggqA:
undetectable
6nmfC-2ggqA:
undetectable
6nmfP-2ggqA:
undetectable		 6nmfA-2ggqA:
20.15
6nmfC-2ggqA:
18.55
6nmfP-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.
2gs4 PROTEIN YCIF

(Escherichia
coli) 		PF05974
(DUF892) 		4 ASP A  16
THR A  17
TYR A  18
HIS A  47
 None
 1.21A 6nmfA-2gs4A:
undetectable
6nmfC-2gs4A:
3.9
6nmfP-2gs4A:
3.9		 6nmfA-2gs4A:
14.17
6nmfC-2gs4A:
20.32
6nmfP-2gs4A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hyk BETA-1,3-GLUCANASE

(Nocardiopsis
sp. F96) 		PF00722
(Glyco_hydro_16) 		4 ASP A  47
THR A  46
TYR A  45
LEU A  77
 None
 1.17A 6nmfA-2hykA:
undetectable
6nmfC-2hykA:
undetectable
6nmfP-2hykA:
undetectable		 6nmfA-2hykA:
19.25
6nmfC-2hykA:
20.59
6nmfP-2hykA:
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.
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Homo sapiens) 		PF00106
(adh_short) 		4 ASP A 259
THR A 265
TYR A 257
LEU A 215
 None
None
None
NAP  A 901 (-4.1A)
 0.99A 6nmfA-2irwA:
undetectable
6nmfC-2irwA:
1.6
6nmfP-2irwA:
undetectable		 6nmfA-2irwA:
18.68
6nmfC-2irwA:
18.75
6nmfP-2irwA:
18.75
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.
2oaa R.MVAI

(Kocuria varians) 		PF15515
(MvaI_BcnI) 		4 ASP A  37
THR A  34
TRP A  20
LEU A  39
 None
 1.04A 6nmfA-2oaaA:
undetectable
6nmfC-2oaaA:
undetectable
6nmfP-2oaaA:
undetectable		 6nmfA-2oaaA:
17.83
6nmfC-2oaaA:
20.00
6nmfP-2oaaA:
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.
2pl5 HOMOSERINE
O-ACETYLTRANSFERASE

(Leptospira
interrogans) 		PF00561
(Abhydrolase_1) 		4 ASP A  86
THR A  87
HIS A  60
LEU A 362
 None
 0.92A 6nmfA-2pl5A:
undetectable
6nmfC-2pl5A:
undetectable
6nmfP-2pl5A:
undetectable		 6nmfA-2pl5A:
21.46
6nmfC-2pl5A:
22.13
6nmfP-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 ASP A 193
THR A 194
TYR A 197
LEU A 164
 None
 1.13A 6nmfA-2qgqA:
undetectable
6nmfC-2qgqA:
undetectable
6nmfP-2qgqA:
undetectable		 6nmfA-2qgqA:
17.72
6nmfC-2qgqA:
19.74
6nmfP-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.
2r5j MAJOR CAPSID PROTEIN
L1

(Alphapapillomavirus
9) 		PF00500
(Late_protein_L1) 		4 ASP A 197
THR A 445
TYR A 444
LEU A 195
 None
 1.19A 6nmfA-2r5jA:
undetectable
6nmfC-2r5jA:
undetectable
6nmfP-2r5jA:
undetectable		 6nmfA-2r5jA:
23.56
6nmfC-2r5jA:
20.14
6nmfP-2r5jA:
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.
2vob TRYPANOTHIONE
SYNTHETASE

(Leishmania
major) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 ASP A 466
THR A 465
TYR A 468
LEU A 493
 None
 0.92A 6nmfA-2vobA:
undetectable
6nmfC-2vobA:
undetectable
6nmfP-2vobA:
undetectable		 6nmfA-2vobA:
21.23
6nmfC-2vobA:
15.17
6nmfP-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 HIS A 116
THR A 392
HIS A  36
LEU A 370
 None
 1.14A 6nmfA-2xhgA:
undetectable
6nmfC-2xhgA:
undetectable
6nmfP-2xhgA:
undetectable		 6nmfA-2xhgA:
20.56
6nmfC-2xhgA:
19.86
6nmfP-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.
3dqp OXIDOREDUCTASE YLBE

(Lactococcus
lactis) 		PF13460
(NAD_binding_10) 		4 ASP A 179
THR A 180
HIS A 189
LEU A  16
 None
 1.06A 6nmfA-3dqpA:
undetectable
6nmfC-3dqpA:
undetectable
6nmfP-3dqpA:
undetectable		 6nmfA-3dqpA:
17.95
6nmfC-3dqpA:
20.86
6nmfP-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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli;
Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N)
PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C) 		4 THR A 778
TYR A 781
HIS A1163
LEU B 111
 None
None
MD1  A1245 (-3.4A)
None
 1.19A 6nmfA-3egwA:
undetectable
6nmfC-3egwA:
undetectable
6nmfP-3egwA:
undetectable		 6nmfA-3egwA:
16.88
6nmfC-3egwA:
11.25
6nmfP-3egwA:
11.25
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.
3eqq BENZENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas
putida) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ASP A  38
THR A  37
TYR A  36
LEU A  23
 None
 1.07A 6nmfA-3eqqA:
undetectable
6nmfC-3eqqA:
undetectable
6nmfP-3eqqA:
undetectable		 6nmfA-3eqqA:
21.73
6nmfC-3eqqA:
18.97
6nmfP-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 ASP A 654
TYR A 653
HIS A 643
LEU A 661
 None
 1.14A 6nmfA-3fhnA:
3.9
6nmfC-3fhnA:
3.8
6nmfP-3fhnA:
3.7		 6nmfA-3fhnA:
20.97
6nmfC-3fhnA:
16.62
6nmfP-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 ASP A  64
THR A  98
HIS A  88
LEU A 200
 None
 1.08A 6nmfA-3h2sA:
undetectable
6nmfC-3h2sA:
undetectable
6nmfP-3h2sA:
undetectable		 6nmfA-3h2sA:
17.81
6nmfC-3h2sA:
22.46
6nmfP-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 HIS A  27
ASP A   7
THR A   6
LEU A  11
 None
 1.10A 6nmfA-3h31A:
undetectable
6nmfC-3h31A:
undetectable
6nmfP-3h31A:
undetectable		 6nmfA-3h31A:
11.25
6nmfC-3h31A:
16.33
6nmfP-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.
3i1i HOMOSERINE
O-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		4 ASP A  79
THR A  80
HIS A  53
LEU A 366
 None
 0.94A 6nmfA-3i1iA:
undetectable
6nmfC-3i1iA:
undetectable
6nmfP-3i1iA:
undetectable		 6nmfA-3i1iA:
19.42
6nmfC-3i1iA:
20.51
6nmfP-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 ASP A 218
TYR A 220
HIS A  93
LEU A 207
 None
 1.16A 6nmfA-3i99A:
undetectable
6nmfC-3i99A:
undetectable
6nmfP-3i99A:
undetectable		 6nmfA-3i99A:
20.27
6nmfC-3i99A:
20.60
6nmfP-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 ASP A 147
THR A 146
HIS A 238
LEU A  26
 None
 1.14A 6nmfA-3il7A:
undetectable
6nmfC-3il7A:
undetectable
6nmfP-3il7A:
undetectable		 6nmfA-3il7A:
22.86
6nmfC-3il7A:
19.12
6nmfP-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 HIS P 238
ASP P 198
THR P 194
LEU P 326
 None
 1.08A 6nmfA-3izyP:
undetectable
6nmfC-3izyP:
undetectable
6nmfP-3izyP:
undetectable		 6nmfA-3izyP:
21.85
6nmfC-3izyP:
18.22
6nmfP-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 ASP X 714
THR X 701
TYR X 700
LEU X 690
 None
 1.11A 6nmfA-3jb9X:
undetectable
6nmfC-3jb9X:
undetectable
6nmfP-3jb9X:
undetectable		 6nmfA-3jb9X:
16.83
6nmfC-3jb9X:
11.15
6nmfP-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.
3js4 SUPEROXIDE DISMUTASE

(Anaplasma
phagocytophilum) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 ASP A  34
THR A  31
TYR A  32
LEU A  39
 None
 0.91A 6nmfA-3js4A:
0.8
6nmfC-3js4A:
undetectable
6nmfP-3js4A:
undetectable		 6nmfA-3js4A:
18.43
6nmfC-3js4A:
22.68
6nmfP-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.
3ldh LACTATE
DEHYDROGENASE

(Squalus
acanthias) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASP A 144
THR A 143
TRP A 231
LEU A 112
 None
 1.09A 6nmfA-3ldhA:
undetectable
6nmfC-3ldhA:
undetectable
6nmfP-3ldhA:
undetectable		 6nmfA-3ldhA:
21.37
6nmfC-3ldhA:
19.24
6nmfP-3ldhA:
19.24
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 HIS A 365
TYR A 384
HIS A 350
LEU A 429
 None
 1.06A 6nmfA-3lv4A:
undetectable
6nmfC-3lv4A:
undetectable
6nmfP-3lv4A:
undetectable		 6nmfA-3lv4A:
22.18
6nmfC-3lv4A:
20.65
6nmfP-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.
3m1g PUTATIVE GLUTATHIONE
S-TRANSFERASE

(Corynebacterium
glutamicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 THR A 155
TRP A  69
HIS A  95
LEU A  79
 None
 1.16A 6nmfA-3m1gA:
undetectable
6nmfC-3m1gA:
undetectable
6nmfP-3m1gA:
undetectable		 6nmfA-3m1gA:
20.95
6nmfC-3m1gA:
19.40
6nmfP-3m1gA:
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.
3ml3 OUTER MEMBRANE
PROTEIN ICSA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF03212
(Pertactin) 		4 ASP A 662
THR A 634
TYR A 635
LEU A 648
 None
 1.18A 6nmfA-3ml3A:
undetectable
6nmfC-3ml3A:
undetectable
6nmfP-3ml3A:
undetectable		 6nmfA-3ml3A:
18.96
6nmfC-3ml3A:
21.48
6nmfP-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 ASP A  25
THR A  24
TYR A  23
LEU A   8
 None
 0.96A 6nmfA-3n0qA:
undetectable
6nmfC-3n0qA:
undetectable
6nmfP-3n0qA:
undetectable		 6nmfA-3n0qA:
22.04
6nmfC-3n0qA:
21.27
6nmfP-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.
3ni8 PFC0360W PROTEIN

(Plasmodium
falciparum) 		PF08327
(AHSA1) 		4 ASP A  40
THR A  39
HIS A  81
LEU A  47
 None
 1.17A 6nmfA-3ni8A:
undetectable
6nmfC-3ni8A:
undetectable
6nmfP-3ni8A:
undetectable		 6nmfA-3ni8A:
13.13
6nmfC-3ni8A:
19.47
6nmfP-3ni8A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		4 HIS A 198
THR A 147
HIS A 277
LEU A 133
 FE2  A 501 (-3.3A)
None
NAD  A1385 ( 3.6A)
None
 1.10A 6nmfA-3ox4A:
undetectable
6nmfC-3ox4A:
2.3
6nmfP-3ox4A:
2.4		 6nmfA-3ox4A:
21.52
6nmfC-3ox4A:
20.96
6nmfP-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 ASP A 143
THR A 144
TYR A 145
LEU A  13
 None
 1.16A 6nmfA-3p9vA:
undetectable
6nmfC-3p9vA:
undetectable
6nmfP-3p9vA:
undetectable		 6nmfA-3p9vA:
14.53
6nmfC-3p9vA:
19.92
6nmfP-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.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ASP A 311
THR A 310
HIS A 274
LEU A 386
 None
 0.91A 6nmfA-3ppcA:
undetectable
6nmfC-3ppcA:
undetectable
6nmfP-3ppcA:
undetectable		 6nmfA-3ppcA:
20.67
6nmfC-3ppcA:
15.63
6nmfP-3ppcA:
15.63
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.
3ri6 O-ACETYLHOMOSERINE
SULFHYDRYLASE

(Wolinella
succinogenes) 		PF01053
(Cys_Met_Meta_PP) 		4 HIS A 263
ASP A  63
THR A  60
LEU A  68
 None
 1.10A 6nmfA-3ri6A:
undetectable
6nmfC-3ri6A:
undetectable
6nmfP-3ri6A:
undetectable		 6nmfA-3ri6A:
21.43
6nmfC-3ri6A:
21.61
6nmfP-3ri6A:
21.61
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.
3ujz METALLOPROTEASE STCE

(Escherichia
coli) 		PF10462
(Peptidase_M66) 		4 HIS A 511
ASP A 128
THR A 129
LEU A 126
 None
 1.17A 6nmfA-3ujzA:
undetectable
6nmfC-3ujzA:
undetectable
6nmfP-3ujzA:
undetectable		 6nmfA-3ujzA:
19.55
6nmfC-3ujzA:
13.39
6nmfP-3ujzA:
13.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		4 ASP A  82
THR A  83
HIS A  58
LEU A 370
 None
 0.88A 6nmfA-3vvlA:
undetectable
6nmfC-3vvlA:
undetectable
6nmfP-3vvlA:
undetectable		 6nmfA-3vvlA:
19.38
6nmfC-3vvlA:
20.36
6nmfP-3vvlA:
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.
4dgq NON-HEME
CHLOROPEROXIDASE

(Burkholderia
cenocepacia) 		PF00561
(Abhydrolase_1) 		4 ASP A 207
THR A 206
HIS A  74
LEU A 212
 None
 1.04A 6nmfA-4dgqA:
undetectable
6nmfC-4dgqA:
undetectable
6nmfP-4dgqA:
undetectable		 6nmfA-4dgqA:
18.30
6nmfC-4dgqA:
20.20
6nmfP-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
 1.16A 6nmfA-4el8A:
undetectable
6nmfC-4el8A:
undetectable
6nmfP-4el8A:
undetectable		 6nmfA-4el8A:
20.22
6nmfC-4el8A:
17.87
6nmfP-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 THR A 274
TYR A 275
HIS A  65
LEU A 184
 None
 1.14A 6nmfA-4g0rA:
undetectable
6nmfC-4g0rA:
undetectable
6nmfP-4g0rA:
undetectable		 6nmfA-4g0rA:
20.65
6nmfC-4g0rA:
16.97
6nmfP-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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 ASP A1188
THR A1193
TYR A1187
LEU A 325
 None
 1.22A 6nmfA-4iglA:
undetectable
6nmfC-4iglA:
undetectable
6nmfP-4iglA:
undetectable		 6nmfA-4iglA:
15.55
6nmfC-4iglA:
11.42
6nmfP-4iglA:
11.42
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.
4il2 STARVATION SENSING
PROTEIN RSPA

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 225
ASP A 145
THR A 135
LEU A 143
 MG  A 501 ( 4.8A)
None
None
None
 1.13A 6nmfA-4il2A:
undetectable
6nmfC-4il2A:
undetectable
6nmfP-4il2A:
undetectable		 6nmfA-4il2A:
20.83
6nmfC-4il2A:
19.59
6nmfP-4il2A:
19.59
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.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 HIS A 315
TYR A 333
HIS A 344
LEU A 395
 None
 1.08A 6nmfA-4jhzA:
undetectable
6nmfC-4jhzA:
undetectable
6nmfP-4jhzA:
undetectable		 6nmfA-4jhzA:
19.84
6nmfC-4jhzA:
17.38
6nmfP-4jhzA:
17.38
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.
4kw2 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		4 HIS A 186
ASP A 215
THR A 214
LEU A 263
 None
 1.21A 6nmfA-4kw2A:
undetectable
6nmfC-4kw2A:
undetectable
6nmfP-4kw2A:
undetectable		 6nmfA-4kw2A:
20.04
6nmfC-4kw2A:
21.97
6nmfP-4kw2A:
21.97
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 ASP A 465
THR A 466
TYR A 469
LEU A 348
 None
 0.87A 6nmfA-4onqA:
undetectable
6nmfC-4onqA:
undetectable
6nmfP-4onqA:
undetectable		 6nmfA-4onqA:
21.07
6nmfC-4onqA:
19.61
6nmfP-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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		4 ASP A 122
THR A 121
HIS A 180
LEU A 128
 None
 1.13A 6nmfA-4r85A:
undetectable
6nmfC-4r85A:
undetectable
6nmfP-4r85A:
undetectable		 6nmfA-4r85A:
22.06
6nmfC-4r85A:
20.00
6nmfP-4r85A:
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.
4raj HEME OXYGENASE

(Chlamydomonas
reinhardtii) 		PF01126
(Heme_oxygenase) 		4 HIS A 125
ASP A 205
HIS A 217
LEU A  17
 None
 1.09A 6nmfA-4rajA:
1.1
6nmfC-4rajA:
undetectable
6nmfP-4rajA:
undetectable		 6nmfA-4rajA:
18.59
6nmfC-4rajA:
19.34
6nmfP-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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		4 HIS B  89
TYR B 117
HIS B  67
LEU B 371
 CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
CLA  B1225 ( 4.4A)
 1.18A 6nmfA-4rkuB:
1.3
6nmfC-4rkuB:
2.8
6nmfP-4rkuB:
2.8		 6nmfA-4rkuB:
22.74
6nmfC-4rkuB:
16.14
6nmfP-4rkuB:
16.14
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.
4ua3 UNCHARACTERIZED
N-ACETYLTRANSFERASE
C825.04C

(Schizosaccharomyces
pombe) 		PF00583
(Acetyltransf_1) 		4 ASP A 106
THR A 107
HIS A 174
LEU A  85
 None
 0.88A 6nmfA-4ua3A:
undetectable
6nmfC-4ua3A:
undetectable
6nmfP-4ua3A:
undetectable		 6nmfA-4ua3A:
16.40
6nmfC-4ua3A:
20.36
6nmfP-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 HIS A  41
ASP A  51
THR A  52
LEU A 123
 None
 0.97A 6nmfA-4xltA:
undetectable
6nmfC-4xltA:
undetectable
6nmfP-4xltA:
undetectable		 6nmfA-4xltA:
12.73
6nmfC-4xltA:
18.29
6nmfP-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.
4xly UNCHARACTERIZED
PROTEIN BLR2150

(Bradyrhizobium
diazoefficiens) 		no annotation 4 ASP A 132
THR A 133
TYR A 136
TRP A  14
 None
None
ECP  A 700 ( 4.9A)
None
 1.15A 6nmfA-4xlyA:
undetectable
6nmfC-4xlyA:
undetectable
6nmfP-4xlyA:
undetectable		 6nmfA-4xlyA:
19.80
6nmfC-4xlyA:
19.42
6nmfP-4xlyA:
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.
4yoo RETINOBLASTOMA-LIKE
PROTEIN
1,RETINOBLASTOMA-LIK
E PROTEIN 1

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		4 HIS A 839
ASP A 805
HIS A 877
LEU A 810
 None
 1.00A 6nmfA-4yooA:
undetectable
6nmfC-4yooA:
undetectable
6nmfP-4yooA:
undetectable		 6nmfA-4yooA:
20.71
6nmfC-4yooA:
21.08
6nmfP-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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 HIS A 199
ASP A 235
THR A 502
LEU A 239
 None
 1.14A 6nmfA-5az4A:
undetectable
6nmfC-5az4A:
undetectable
6nmfP-5az4A:
undetectable		 6nmfA-5az4A:
21.03
6nmfC-5az4A:
15.61
6nmfP-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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 HIS A 199
ASP A 235
THR A 502
LEU A 620
 None
 0.87A 6nmfA-5az4A:
undetectable
6nmfC-5az4A:
undetectable
6nmfP-5az4A:
undetectable		 6nmfA-5az4A:
21.03
6nmfC-5az4A:
15.61
6nmfP-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.
5d9a POLYMERASE BASIC
PROTEIN 2

(Influenza C
virus) 		PF00604
(Flu_PB2) 		4 ASP C 421
TYR C 422
TRP C 369
LEU C 463
 None
 1.17A 6nmfA-5d9aC:
undetectable
6nmfC-5d9aC:
undetectable
6nmfP-5d9aC:
undetectable		 6nmfA-5d9aC:
21.05
6nmfC-5d9aC:
15.06
6nmfP-5d9aC:
15.06
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.
5fcm BASAL BODY PROTEIN

(Chlamydomonas
reinhardtii) 		no annotation 4 ASP A  45
THR A  48
TYR A  47
LEU A  40
 None
 1.11A 6nmfA-5fcmA:
undetectable
6nmfC-5fcmA:
undetectable
6nmfP-5fcmA:
undetectable		 6nmfA-5fcmA:
8.98
6nmfC-5fcmA:
16.94
6nmfP-5fcmA:
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.
5grs STEROL REGULATORY
ELEMENT-BINDING
PROTEIN
CLEAVAGE-ACTIVATING
PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 4 ASP A 727
THR A 720
TRP A 773
LEU A 674
 None
 1.16A 6nmfA-5grsA:
undetectable
6nmfC-5grsA:
undetectable
6nmfP-5grsA:
undetectable		 6nmfA-5grsA:
19.81
6nmfC-5grsA:
20.62
6nmfP-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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		4 HIS A 787
THR A 665
TYR A 658
LEU A 641
 None
 1.14A 6nmfA-5gz4A:
undetectable
6nmfC-5gz4A:
undetectable
6nmfP-5gz4A:
undetectable		 6nmfA-5gz4A:
20.79
6nmfC-5gz4A:
15.54
6nmfP-5gz4A:
15.54
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.
5h46 DNA PROTECTION
DURING STARVATION
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		4 ASP A  30
THR A  27
TYR A  28
LEU A  35
 None
 1.07A 6nmfA-5h46A:
undetectable
6nmfC-5h46A:
4.1
6nmfP-5h46A:
4.1		 6nmfA-5h46A:
13.19
6nmfC-5h46A:
19.15
6nmfP-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)
 1.15A 6nmfA-5ikrA:
undetectable
6nmfC-5ikrA:
undetectable
6nmfP-5ikrA:
undetectable		 6nmfA-5ikrA:
21.04
6nmfC-5ikrA:
20.62
6nmfP-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 ASP A 492
THR A 491
TYR A 494
LEU A 462
 None
 1.02A 6nmfA-5irmA:
undetectable
6nmfC-5irmA:
undetectable
6nmfP-5irmA:
undetectable		 6nmfA-5irmA:
20.45
6nmfC-5irmA:
15.38
6nmfP-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 ASP A 102
THR A 103
HIS A  76
LEU A 391
 None
 1.08A 6nmfA-5jkjA:
undetectable
6nmfC-5jkjA:
undetectable
6nmfP-5jkjA:
undetectable		 6nmfA-5jkjA:
21.88
6nmfC-5jkjA:
20.47
6nmfP-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 HIS A 198
ASP A 234
THR A 482
LEU A 238
 None
 1.12A 6nmfA-5jxlA:
undetectable
6nmfC-5jxlA:
2.3
6nmfP-5jxlA:
2.3		 6nmfA-5jxlA:
20.42
6nmfC-5jxlA:
15.73
6nmfP-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.
5kwn E3 UBIQUITIN-PROTEIN
LIGASE COP1

(Arabidopsis
thaliana) 		PF00400
(WD40) 		4 ASP A 569
THR A 568
TRP A 467
LEU A 572
 None
 1.21A 6nmfA-5kwnA:
undetectable
6nmfC-5kwnA:
undetectable
6nmfP-5kwnA:
undetectable		 6nmfA-5kwnA:
20.48
6nmfC-5kwnA:
20.18
6nmfP-5kwnA:
20.18
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.
5n9m COBYRIC ACID
SYNTHASE

(Staphylococcus
aureus) 		no annotation 4 ASP A  19
TYR A  17
HIS A 155
LEU A  14
 None
 1.22A 6nmfA-5n9mA:
undetectable
6nmfC-5n9mA:
undetectable
6nmfP-5n9mA:
undetectable		 6nmfA-5n9mA:
undetectable
6nmfC-5n9mA:
undetectable
6nmfP-5n9mA:
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.
5na7 PUTATIVE
DIPEPTIDYL-PEPTIDASE
III

(Bacteroides
thetaiotaomicron) 		no annotation 4 HIS A 117
ASP A 193
TYR A 191
LEU A 241
 None
 1.08A 6nmfA-5na7A:
1.3
6nmfC-5na7A:
undetectable
6nmfP-5na7A:
undetectable		 6nmfA-5na7A:
21.17
6nmfC-5na7A:
15.94
6nmfP-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.
5o0l RETICULON-4 RECEPTOR

(Mus musculus) 		no annotation 4 ASP A 205
THR A 181
HIS A 136
LEU A 225
 None
 1.11A 6nmfA-5o0lA:
undetectable
6nmfC-5o0lA:
undetectable
6nmfP-5o0lA:
undetectable		 6nmfA-5o0lA:
20.26
6nmfC-5o0lA:
23.01
6nmfP-5o0lA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 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 ASP A 270
TYR A 271
HIS A 404
LEU A 253
 None
None
CA  A 601 ( 4.8A)
None
 0.91A 6nmfA-5ukhA:
undetectable
6nmfC-5ukhA:
undetectable
6nmfP-5ukhA:
undetectable		 6nmfA-5ukhA:
20.30
6nmfC-5ukhA:
19.51
6nmfP-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 ASP A  91
THR A  92
HIS A  65
LEU A 368
 None
 0.94A 6nmfA-5w8oA:
undetectable
6nmfC-5w8oA:
undetectable
6nmfP-5w8oA:
undetectable		 6nmfA-5w8oA:
20.38
6nmfC-5w8oA:
19.78
6nmfP-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 ASP A 327
TRP A 249
HIS A 245
LEU A 321
 None
 0.95A 6nmfA-5wrjA:
undetectable
6nmfC-5wrjA:
undetectable
6nmfP-5wrjA:
undetectable		 6nmfA-5wrjA:
18.38
6nmfC-5wrjA:
21.63
6nmfP-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
 1.12A 6nmfA-5y9dA:
1.1
6nmfC-5y9dA:
2.1
6nmfP-5y9dA:
2.1		 6nmfA-5y9dA:
undetectable
6nmfC-5y9dA:
undetectable
6nmfP-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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 4 ASP A 635
THR A 634
TYR A 633
HIS A 351
 None
 1.06A 6nmfA-5ys9A:
undetectable
6nmfC-5ys9A:
2.4
6nmfP-5ys9A:
3.2		 6nmfA-5ys9A:
undetectable
6nmfC-5ys9A:
undetectable
6nmfP-5ys9A:
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.
5z43 AMBP1

(Fischerella
ambigua) 		no annotation 4 HIS A  62
ASP A 172
TYR A 170
LEU A 155
 None
 1.17A 6nmfA-5z43A:
undetectable
6nmfC-5z43A:
undetectable
6nmfP-5z43A:
undetectable		 6nmfA-5z43A:
undetectable
6nmfC-5z43A:
undetectable
6nmfP-5z43A:
undetectable