SIMILAR PATTERNS OF AMINO ACIDS FOR 1BU5_A_RBFA301

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ag9 FLAVODOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		7 THR A  12
ASN A  14
THR A  56
TRP A  57
GLY A  89
ASP A  90
TYR A  94
 FMN  A 177 (-3.5A)
FMN  A 177 (-3.9A)
FMN  A 177 (-3.9A)
FMN  A 177 (-3.7A)
FMN  A 177 (-3.2A)
None
FMN  A 177 (-3.4A)
 0.71A 1bu5A-1ag9A:
20.3		 1bu5A-1ag9A:
34.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1akw FLAVODOXIN

(Desulfovibrio
vulgaris) 		PF00258
(Flavodoxin_1) 		7 THR A  12
ASN A  14
THR A  59
TRP A  60
GLY A  94
ASP A  95
TYR A  98
 FMN  A 149 (-3.1A)
FMN  A 149 (-3.8A)
FMN  A 149 (-3.9A)
FMN  A 149 (-4.6A)
FMN  A 149 (-3.2A)
None
FMN  A 149 (-3.5A)
 0.31A 1bu5A-1akwA:
30.9		 1bu5A-1akwA:
99.32
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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 THR A  90
THR A 139
GLY A 174
TYR A 178
 FMN  A 751 (-3.5A)
FMN  A 751 (-3.3A)
FMN  A 751 (-3.2A)
FMN  A 751 ( 3.9A)
 0.71A 1bu5A-1amoA:
17.7		 1bu5A-1amoA:
14.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b1c PROTEIN
(NADPH-CYTOCHROME
P450 REDUCTASE)

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		4 THR A  28
THR A  79
GLY A 114
TYR A 118
 FMN  A 190 (-3.5A)
FMN  A 190 (-4.0A)
FMN  A 190 (-3.2A)
FMN  A 190 (-3.5A)
 0.88A 1bu5A-1b1cA:
18.0		 1bu5A-1b1cA:
30.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b1c PROTEIN
(NADPH-CYTOCHROME
P450 REDUCTASE)

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		4 THR A  30
THR A  79
GLY A 114
TYR A 118
 FMN  A 190 (-3.5A)
FMN  A 190 (-4.0A)
FMN  A 190 (-3.2A)
FMN  A 190 (-3.5A)
 0.74A 1bu5A-1b1cA:
18.0		 1bu5A-1b1cA:
30.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b8h DNA POLYMERASE
PROCESSIVITY
COMPONENT

(Escherichia
virus RB69) 		PF02916
(DNA_PPF)
PF09116
(gp45-slide_C) 		4 THR A 141
ASN A 142
GLY A 145
ASP A 144
 None
 1.01A 1bu5A-1b8hA:
undetectable		 1bu5A-1b8hA:
19.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1czk FLAVODOXIN

(Synechococcus
elongatus) 		PF00258
(Flavodoxin_1) 		6 THR A  11
THR A  56
TRP A  57
GLY A  89
ASP A  90
TYR A  94
 FMN  A 170 (-3.5A)
FMN  A 170 (-3.8A)
FMN  A 170 (-3.9A)
FMN  A 170 (-3.4A)
None
FMN  A 170 (-3.4A)
 0.77A 1bu5A-1czkA:
20.8		 1bu5A-1czkA:
32.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dmu BGLI RESTRICTION
ENDONUCLEASE

(Bacillus
subtilis) 		PF14562
(Endonuc_BglI) 		4 ASN A 249
GLY A 251
ASP A 255
TYR A 258
 None
 0.95A 1bu5A-1dmuA:
undetectable		 1bu5A-1dmuA:
18.40
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.
1f82 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 THR A 368
THR A 356
GLY A 273
ASP A 275
 None
 1.01A 1bu5A-1f82A:
undetectable		 1bu5A-1f82A:
14.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ftg APOFLAVODOXIN

(Nostoc sp. PCC
7119) 		PF00258
(Flavodoxin_1) 		5 THR A  12
THR A  56
GLY A  89
ASP A  90
TYR A  94
 SO4  A 700 (-3.7A)
None
None
None
None
 0.74A 1bu5A-1ftgA:
20.3		 1bu5A-1ftgA:
31.14
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.
1fue FLAVODOXIN

(Helicobacter
pylori) 		PF00258
(Flavodoxin_1) 		5 ASN A  14
THR A  54
GLY A  87
ASP A  88
TYR A  92
 FMN  A 165 (-3.6A)
FMN  A 165 (-4.0A)
FMN  A 165 (-3.3A)
None
FMN  A 165 (-3.4A)
 0.63A 1bu5A-1fueA:
18.9		 1bu5A-1fueA:
30.00
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.
1g3r CELL DIVISION
INHIBITOR

(Pyrococcus
furiosus) 		PF13614
(AAA_31) 		4 THR A  18
ASN A  22
GLY A 222
ASP A 200
 ACP  A 238 (-3.7A)
None
None
None
 0.94A 1bu5A-1g3rA:
5.3		 1bu5A-1g3rA:
22.32
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 THR A  43
THR A 354
GLY A  36
ASP A  37
 None
None
None
ZN  A 478 ( 2.1A)
 0.99A 1bu5A-1k7hA:
undetectable		 1bu5A-1k7hA:
15.20
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.
1mda METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 THR H  37
ASN H  48
THR H  45
GLY H  64
 None
 0.99A 1bu5A-1mdaH:
undetectable		 1bu5A-1mdaH:
18.38
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.
1n02 CYANOVIRIN-N

(Nostoc
ellipsosporum) 		PF08881
(CVNH) 		4 ASN A  81
THR A  58
GLY A  46
ASP A  45
 None
 1.02A 1bu5A-1n02A:
undetectable		 1bu5A-1n02A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofm CHONDROITINASE B

(Pedobacter
heparinus) 		PF14592
(Chondroitinas_B) 		4 ASN A 178
THR A 182
GLY A 221
TYR A 223
 None
 0.77A 1bu5A-1ofmA:
undetectable		 1bu5A-1ofmA:
15.25
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.
1ofu CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 THR A 109
ASN A  44
THR A 102
GLY A  24
 GDP  A1318 (-4.1A)
GDP  A1318 ( 4.7A)
None
None
 0.98A 1bu5A-1ofuA:
5.6		 1bu5A-1ofuA:
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.
1q2e EXOCELLOBIOHYDROLASE
I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		4 ASN A 198
THR A  55
TRP A 192
GLY A  53
 None
 1.00A 1bu5A-1q2eA:
undetectable		 1bu5A-1q2eA:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rlj NRDI PROTEIN

(Bacillus
subtilis) 		PF07972
(Flavodoxin_NdrI) 		4 THR A  10
ASN A  12
THR A  44
GLY A  72
 FMN  A 151 (-3.6A)
FMN  A 151 (-3.8A)
FMN  A 151 (-3.7A)
FMN  A 151 (-3.3A)
 0.70A 1bu5A-1rljA:
12.2		 1bu5A-1rljA:
18.67
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.
1svx ANKYRIN REPEAT
PROTEIN OFF7

(-) 		PF00023
(Ank)
PF12796
(Ank_2) 		4 ASN A  45
THR A  49
GLY A  47
ASP A  77
 None
 1.01A 1bu5A-1svxA:
undetectable		 1bu5A-1svxA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 THR A 763
THR A 808
GLY A 885
TYR A 889
 FMN  A1451 (-3.1A)
FMN  A1451 (-4.0A)
FMN  A1451 (-3.1A)
FMN  A1451 (-3.7A)
 0.69A 1bu5A-1tllA:
18.1		 1bu5A-1tllA:
12.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ykg SULFITE REDUCTASE
[NADPH] FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		6 THR A  71
ASN A  73
THR A 117
GLY A 153
ASP A 154
TYR A 157
 FMN  A 300 (-3.2A)
FMN  A 300 (-3.2A)
FMN  A 300 (-4.0A)
FMN  A 300 (-2.5A)
FMN  A 300 (-4.9A)
FMN  A 300 (-3.4A)
 0.84A 1bu5A-1ykgA:
20.3		 1bu5A-1ykgA:
29.94
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.
1yob FLAVODOXIN 2

(Azotobacter
vinelandii) 		PF00258
(Flavodoxin_1) 		5 THR A  11
THR A  56
GLY A  97
ASP A  98
TYR A 102
 FMN  A1200 (-3.5A)
FMN  A1200 (-3.7A)
FMN  A1200 (-3.3A)
None
FMN  A1200 (-3.4A)
 0.53A 1bu5A-1yobA:
18.2		 1bu5A-1yobA:
28.49
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.
1zcc GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Agrobacterium
fabrum) 		PF03009
(GDPD) 		4 ASN A  17
THR A  57
TRP A  79
ASP A  50
 None
 0.97A 1bu5A-1zccA:
undetectable		 1bu5A-1zccA:
25.10
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		4 THR A  48
THR A 355
GLY A  41
ASP A  42
 None
None
None
ZN  A 902 ( 2.1A)
 0.98A 1bu5A-1zefA:
undetectable		 1bu5A-1zefA:
14.83
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.
2bf4 NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 THR A  69
THR A 117
GLY A 153
TYR A 157
 FMN  A 751 ( 3.3A)
FMN  A 751 (-3.9A)
FMN  A 751 (-3.2A)
FMN  A 751 (-3.5A)
 0.97A 1bu5A-2bf4A:
18.0		 1bu5A-2bf4A:
13.47
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.
2bf4 NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 THR A  71
THR A 117
GLY A 153
TYR A 157
 FMN  A 751 (-3.5A)
FMN  A 751 (-3.9A)
FMN  A 751 (-3.2A)
FMN  A 751 (-3.5A)
 0.74A 1bu5A-2bf4A:
18.0		 1bu5A-2bf4A:
13.47
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.
2c9k PESTICIDAL CRYSTAL
PROTEIN CRY4AA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 THR A 300
THR A 562
GLY A 558
ASP A 565
 None
 1.03A 1bu5A-2c9kA:
undetectable		 1bu5A-2c9kA:
13.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fcr FLAVODOXIN

(Chondrus
crispus) 		PF00258
(Flavodoxin_1) 		6 THR A  10
ASN A  12
THR A  55
GLY A  93
ASP A  94
TYR A  98
 FMN  A 174 (-3.6A)
FMN  A 174 (-3.5A)
FMN  A 174 (-3.8A)
FMN  A 174 (-3.1A)
None
FMN  A 174 (-3.4A)
 0.51A 1bu5A-2fcrA:
19.5		 1bu5A-2fcrA:
31.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fcr FLAVODOXIN

(Chondrus
crispus) 		PF00258
(Flavodoxin_1) 		5 THR A  55
TRP A  56
GLY A  93
ASP A  94
TYR A  98
 FMN  A 174 (-3.8A)
FMN  A 174 (-3.9A)
FMN  A 174 (-3.1A)
None
FMN  A 174 (-3.4A)
 0.74A 1bu5A-2fcrA:
19.5		 1bu5A-2fcrA:
31.28
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.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		4 THR A 181
THR A 166
GLY A 171
ASP A 172
 None
 0.75A 1bu5A-2ivdA:
5.8		 1bu5A-2ivdA:
16.27
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.
2j1n OUTER MEMBRANE
PROTEIN C

(Escherichia
coli) 		PF00267
(Porin_1) 		4 THR A 166
ASN A 153
GLY A 177
ASP A 178
 None
 1.04A 1bu5A-2j1nA:
undetectable		 1bu5A-2j1nA:
17.91
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.
2kq8 CELL WALL HYDROLASE

(Bacillus
thuringiensis) 		PF08239
(SH3_3) 		4 THR A  20
ASN A  21
TRP A  43
GLY A  53
 None
 0.96A 1bu5A-2kq8A:
undetectable		 1bu5A-2kq8A:
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.
2m6r FLAVODOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		4 THR A  59
GLY A  93
ASP A  94
TYR A  97
 None
 0.64A 1bu5A-2m6rA:
17.0		 1bu5A-2m6rA:
25.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mt9 FLAVODOXIN-2

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		5 THR A  11
THR A  55
TRP A  56
GLY A  88
TYR A  93
 FMN  A 201 (-2.8A)
FMN  A 201 (-3.9A)
FMN  A 201 (-3.5A)
FMN  A 201 (-3.1A)
FMN  A 201 (-3.5A)
 1.13A 1bu5A-2mt9A:
20.3		 1bu5A-2mt9A:
27.43
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.
2mt9 FLAVODOXIN-2

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		4 THR A  55
GLY A  88
ASP A  89
TYR A  93
 FMN  A 201 (-3.9A)
FMN  A 201 (-3.1A)
None
FMN  A 201 (-3.5A)
 0.66A 1bu5A-2mt9A:
20.3		 1bu5A-2mt9A:
27.43
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.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 THR A 206
ASN A 204
THR A 173
GLY A 217
 FAD  A 600 (-4.0A)
None
None
None
 1.03A 1bu5A-2r4jA:
4.6		 1bu5A-2r4jA:
15.34
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.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 THR A 206
THR A 173
GLY A 217
ASP A 216
 FAD  A 600 (-4.0A)
None
None
None
 0.78A 1bu5A-2r4jA:
4.6		 1bu5A-2r4jA:
15.34
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.
2v5q DESIGN ANKYRIN
REPEAT PROTEIN

(unidentified) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		4 ASN C  45
THR C  49
GLY C  47
ASP C  77
 None
 0.95A 1bu5A-2v5qC:
undetectable		 1bu5A-2v5qC:
23.86
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.
2wc1 FLAVODOXIN

(Rhodobacter
capsulatus) 		PF00258
(Flavodoxin_1) 		5 THR A  12
THR A  57
GLY A  98
ASP A  99
TYR A 103
 FMN  A 183 (-3.6A)
FMN  A 183 (-3.7A)
FMN  A 183 (-3.2A)
None
FMN  A 183 (-3.4A)
 0.64A 1bu5A-2wc1A:
17.9		 1bu5A-2wc1A:
26.18
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.
2wc1 FLAVODOXIN

(Rhodobacter
capsulatus) 		PF00258
(Flavodoxin_1) 		5 THR A  14
THR A  57
GLY A  98
ASP A  99
TYR A 103
 FMN  A 183 (-3.3A)
FMN  A 183 (-3.7A)
FMN  A 183 (-3.2A)
None
FMN  A 183 (-3.4A)
 0.86A 1bu5A-2wc1A:
17.9		 1bu5A-2wc1A:
26.18
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.
2we5 CARBAMATE KINASE 1

(Enterococcus
faecalis) 		PF00696
(AA_kinase) 		4 THR A  82
ASN A  51
THR A 112
GLY A 192
 None
 1.04A 1bu5A-2we5A:
undetectable		 1bu5A-2we5A:
19.49
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 THR A 227
THR A 185
GLY A 183
TYR A 199
 None
 0.92A 1bu5A-2wzsA:
undetectable		 1bu5A-2wzsA:
11.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xod NRDI PROTEIN

(Bacillus
anthracis) 		PF07972
(Flavodoxin_NdrI) 		4 THR A   9
ASN A  11
THR A  42
GLY A  70
 FMN  A1119 (-3.5A)
FMN  A1119 (-3.5A)
FMN  A1119 (-3.7A)
FMN  A1119 (-3.2A)
 0.80A 1bu5A-2xodA:
12.6		 1bu5A-2xodA:
25.60
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.
3bf0 PROTEASE 4

(Escherichia
coli) 		PF01343
(Peptidase_S49) 		4 THR A 352
THR A 343
GLY A 340
ASP A 339
 None
 0.98A 1bu5A-3bf0A:
2.4		 1bu5A-3bf0A:
13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddr HASR PROTEIN

(Serratia
marcescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 THR A 856
ASN A 254
GLY A 283
TYR A 322
 None
 0.98A 1bu5A-3ddrA:
undetectable		 1bu5A-3ddrA:
11.83
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.
3eo5 RESUSCITATION-PROMOT
ING FACTOR RPFB

(Mycobacterium
tuberculosis) 		PF06737
(Transglycosylas)
PF07501
(G5) 		4 ASN A 296
GLY A 307
ASP A 329
TYR A 306
 None
 1.04A 1bu5A-3eo5A:
undetectable		 1bu5A-3eo5A:
23.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f6r FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		6 THR A  12
ASN A  14
TRP A  60
GLY A  94
ASP A  95
TYR A  98
 FMN  A 149 (-3.1A)
FMN  A 149 (-3.9A)
FMN  A 149 (-4.0A)
FMN  A 149 (-2.9A)
None
FMN  A 149 (-3.5A)
 0.30A 1bu5A-3f6rA:
28.3		 1bu5A-3f6rA:
45.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 THR A  71
THR A 117
GLY A 153
TYR A 157
 FMN  A 751 (-3.6A)
FMN  A 751 (-3.9A)
FMN  A 751 (-3.2A)
FMN  A 751 (-3.7A)
 0.70A 1bu5A-3fjoA:
17.8		 1bu5A-3fjoA:
13.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hr4 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		4 THR A 547
THR A 592
GLY A 627
TYR A 631
 FMN  A 999 (-3.3A)
FMN  A 999 (-3.9A)
FMN  A 999 (-3.1A)
FMN  A 999 (-3.5A)
 0.62A 1bu5A-3hr4A:
18.9		 1bu5A-3hr4A:
28.34
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.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 THR A 463
THR A 475
GLY A 471
ASP A 472
 None
None
None
CTN  A 603 (-2.7A)
 0.94A 1bu5A-3iveA:
undetectable		 1bu5A-3iveA:
15.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kaq FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		6 THR A  12
ASN A  14
TRP A  60
GLY A  94
ASP A  95
TYR A  98
 FMN  A 150 (-3.1A)
FMN  A 150 (-4.0A)
FMN  A 150 (-4.5A)
FMN  A 150 (-3.3A)
None
FMN  A 150 (-3.5A)
 0.54A 1bu5A-3kaqA:
28.3		 1bu5A-3kaqA:
47.62
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 THR B 543
THR B 511
GLY B 457
ASP B 458
 None
 0.98A 1bu5A-3prxB:
undetectable		 1bu5A-3prxB:
7.17
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.
3qvq PHOSPHODIESTERASE
OLEI02445

(Oleispira
antarctica) 		PF03009
(GDPD) 		4 ASN A  24
THR A  64
TRP A  86
ASP A  57
 None
 1.00A 1bu5A-3qvqA:
undetectable		 1bu5A-3qvqA:
22.73
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.
3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycobacterium
avium) 		PF02668
(TauD) 		4 THR A 228
THR A 100
GLY A 202
ASP A 203
 None
 0.91A 1bu5A-3r1jA:
undetectable		 1bu5A-3r1jA:
19.87
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.
3swt TAURINE CATABOLISM
DIOXYGENASE, TAUD

(Mycobacterium
marinum) 		PF02668
(TauD) 		4 THR A 230
THR A  99
GLY A 204
ASP A 205
 None
 0.94A 1bu5A-3swtA:
undetectable		 1bu5A-3swtA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tix CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 4 THR B 623
ASN B 604
THR B 569
GLY B 606
 None
 1.03A 1bu5A-3tixB:
3.8		 1bu5A-3tixB:
14.73
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.
3uaq LBPB B-LOBE

(Moraxella bovis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		4 ASN A  65
THR A 181
GLY A 213
TYR A 206
 None
 1.01A 1bu5A-3uaqA:
undetectable		 1bu5A-3uaqA:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wdn GLYCINE CLEAVAGE
SYSTEM H PROTEIN,
MITOCHONDRIAL

(Bos taurus) 		PF01597
(GCV_H) 		4 THR A  20
TRP A  11
GLY A  94
ASP A  93
 None
 0.89A 1bu5A-3wdnA:
undetectable		 1bu5A-3wdnA:
23.81
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.
3wrt BETA-LACTAMASE

(Chromohalobacter
sp. 560) 		PF00144
(Beta-lactamase) 		4 ASN A 297
THR A 267
GLY A 264
ASP A 265
 None
 0.95A 1bu5A-3wrtA:
undetectable		 1bu5A-3wrtA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 THR A 201
THR A 327
GLY A 313
ASP A 329
 None
 0.76A 1bu5A-3zyxA:
2.3		 1bu5A-3zyxA:
14.12
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.
4cp6 CHOLINE BINDING
PROTEIN PCPA

(Streptococcus
pneumoniae) 		PF13306
(LRR_5) 		4 THR A  38
THR A  90
GLY A  92
ASP A  93
 None
 0.86A 1bu5A-4cp6A:
undetectable		 1bu5A-4cp6A:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cvy DIOXYGENASE
RV3406/MT3514

(Mycobacterium
tuberculosis) 		PF02668
(TauD) 		4 THR A 226
THR A  98
GLY A 200
ASP A 201
 None
 0.90A 1bu5A-4cvyA:
undetectable		 1bu5A-4cvyA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB

(Acinetobacter
baumannii) 		PF01636
(APH) 		4 THR A  66
ASN A  63
GLY A  59
ASP A  92
 None
 1.00A 1bu5A-4gkhA:
undetectable		 1bu5A-4gkhA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h2d NADPH-DEPENDENT
DIFLAVIN
OXIDOREDUCTASE 1

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		5 THR A  14
THR A  60
GLY A  98
ASP A  99
TYR A 102
 FMN  A 200 (-3.5A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.3A)
None
FMN  A 200 (-3.5A)
 0.85A 1bu5A-4h2dA:
19.0		 1bu5A-4h2dA:
29.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h2d NADPH-DEPENDENT
DIFLAVIN
OXIDOREDUCTASE 1

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		5 THR A  16
THR A  60
GLY A  98
ASP A  99
TYR A 102
 FMN  A 200 (-3.5A)
FMN  A 200 (-3.9A)
FMN  A 200 (-3.3A)
None
FMN  A 200 (-3.5A)
 0.71A 1bu5A-4h2dA:
19.0		 1bu5A-4h2dA:
29.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		4 THR A 283
GLY A 277
ASP A 276
TYR A 275
 None
 0.98A 1bu5A-4hcxA:
2.2		 1bu5A-4hcxA:
16.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4heq FLAVODOXIN

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1) 		7 THR A  12
ASN A  14
THR A  59
TRP A  60
GLY A  94
ASP A  95
TYR A  98
 FMN  A 201 (-3.2A)
FMN  A 201 (-3.8A)
FMN  A 201 (-3.9A)
FMN  A 201 (-3.9A)
FMN  A 201 (-3.3A)
None
FMN  A 201 (-3.5A)
 0.68A 1bu5A-4heqA:
29.5		 1bu5A-4heqA:
57.14
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.
4hgn 2-KETO-3-DEOXY-D-MAN
NO-OCTULOSONATE
8-PHOSPHATE
PHOSPHOHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		4 ASN A  40
THR A  25
GLY A 146
ASP A 145
 None
 0.91A 1bu5A-4hgnA:
2.5		 1bu5A-4hgnA:
22.10
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.
4jlc SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Mus musculus) 		PF00069
(Pkinase) 		4 THR A 542
ASN A 548
THR A 431
TYR A 394
 None
 0.92A 1bu5A-4jlcA:
undetectable		 1bu5A-4jlcA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jru THAUMATIN-LIKE
PROTEIN

(Vitis vinifera) 		PF00314
(Thaumatin) 		4 THR A  86
ASN A 128
GLY A 126
ASP A 125
 None
 1.04A 1bu5A-4jruA:
undetectable		 1bu5A-4jruA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 THR A 611
TRP A 612
GLY A 622
ASP A 669
 None
 0.98A 1bu5A-4nsxA:
undetectable		 1bu5A-4nsxA:
14.73
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.
4oic BET V I
ALLERGEN-LIKE
PROBABLE PROTEIN
PHOSPHATASE 2C 6

(Oryza sativa) 		PF00481
(PP2C)
PF10604
(Polyketide_cyc2) 		4 THR A 177
TRP B 339
GLY A 171
ASP A 170
 None
 0.95A 1bu5A-4oicA:
undetectable		 1bu5A-4oicA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 THR A6374
THR A6515
GLY A6513
ASP A6512
 None
 0.88A 1bu5A-4opfA:
undetectable		 1bu5A-4opfA:
17.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4oxx CINDOXIN

(Citrobacter
braakii) 		PF00258
(Flavodoxin_1) 		6 THR A  11
ASN A  13
THR A  58
GLY A  93
ASP A  94
TYR A  97
 FMN  A 200 (-3.4A)
FMN  A 200 (-3.5A)
FMN  A 200 (-3.8A)
FMN  A 200 (-3.1A)
None
FMN  A 200 (-3.5A)
 0.90A 1bu5A-4oxxA:
20.5		 1bu5A-4oxxA:
33.55
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.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 ASN B 770
THR B 766
TRP B 776
GLY B 744
 None
 0.96A 1bu5A-4qj4B:
undetectable		 1bu5A-4qj4B:
11.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 THR A 477
GLY A 465
ASP A 461
TYR A 467
 None
 0.96A 1bu5A-4r1dA:
3.7		 1bu5A-4r1dA:
14.94
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		4 THR A 300
ASN A 334
GLY A 244
ASP A 293
 None
 0.99A 1bu5A-4zxzA:
undetectable		 1bu5A-4zxzA:
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		4 ASN A  45
THR A  49
GLY A  47
ASP A  77
 None
 0.94A 1bu5A-5aqaA:
undetectable		 1bu5A-5aqaA:
16.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b3k UNCHARACTERIZED
PROTEIN PA3435

(Pseudomonas
aeruginosa) 		PF00258
(Flavodoxin_1) 		4 THR A  13
THR A  57
GLY A  92
ASP A  93
 SO4  A 201 (-3.9A)
None
None
None
 0.74A 1bu5A-5b3kA:
20.1		 1bu5A-5b3kA:
31.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gxu NADPH--CYTOCHROME
P450 REDUCTASE 2

(Arabidopsis
thaliana) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 THR A 113
THR A 167
GLY A 205
TYR A 209
 FMN  A 801 (-3.2A)
FMN  A 801 (-4.1A)
FMN  A 801 (-3.3A)
FMN  A 801 (-3.5A)
 0.82A 1bu5A-5gxuA:
18.5		 1bu5A-5gxuA:
13.00
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.
5gxu NADPH--CYTOCHROME
P450 REDUCTASE 2

(Arabidopsis
thaliana) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 THR A 115
THR A 167
GLY A 205
TYR A 209
 FMN  A 801 (-3.7A)
FMN  A 801 (-4.1A)
FMN  A 801 (-3.3A)
FMN  A 801 (-3.5A)
 0.79A 1bu5A-5gxuA:
18.5		 1bu5A-5gxuA:
13.00
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.
5huq LACTATE RACEMIZATION
OPERON PROTEIN LARA

(Lactobacillus
plantarum) 		PF09861
(DUF2088) 		4 THR A 283
GLY A 286
ASP A   9
TYR A   8
 None
 1.02A 1bu5A-5huqA:
3.0		 1bu5A-5huqA:
16.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lji FLAVODOXIN

(Streptococcus
pneumoniae) 		PF00258
(Flavodoxin_1) 		6 THR A  12
ASN A  14
THR A  58
GLY A  91
ASP A  92
TYR A  95
 FMN  A 201 (-3.3A)
FMN  A 201 (-3.7A)
FMN  A 201 (-3.6A)
FMN  A 201 (-3.3A)
None
FMN  A 201 (-3.5A)
 0.55A 1bu5A-5ljiA:
23.7		 1bu5A-5ljiA:
32.48
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 4 THR B 514
THR B 629
GLY B 646
ASP B 644
 None
 0.90A 1bu5A-5nd1B:
undetectable		 1bu5A-5nd1B:
18.62
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.
5nxk SERINE-RICH SECRETED
CELL WALL ANCHORED
(LPXTG-MOTIF )
PROTEIN

(Lactobacillus
reuteri) 		no annotation 4 ASN A 352
THR A 345
GLY A 320
ASP A 319
 None
 0.86A 1bu5A-5nxkA:
undetectable		 1bu5A-5nxkA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		4 THR T3647
ASN T3644
GLY T3639
TYR T2676
 None
 0.81A 1bu5A-5ojsT:
undetectable		 1bu5A-5ojsT:
3.61
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.
5olc GALACTONATE
DEHYDRATASE

(Zobellia
galactanivorans) 		no annotation 4 THR A 333
THR A 297
GLY A 299
TYR A  49
 None
 0.91A 1bu5A-5olcA:
undetectable		 1bu5A-5olcA:
18.42
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.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		6 THR A1012
ASN A1014
THR A1059
TRP A1060
GLY A1094
ASP A1095
 FMN  A1202 (-3.5A)
FMN  A1202 (-3.8A)
FMN  A1202 (-3.9A)
FMN  A1202 (-4.2A)
FMN  A1202 (-3.3A)
None
 0.45A 1bu5A-5v57A:
30.9		 1bu5A-5v57A:
27.92
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.
5veg FLAVODOXIN

(Lactobacillus
reuteri) 		no annotation 6 THR A  12
ASN A  14
THR A  58
GLY A  91
ASP A  92
TYR A  95
 FMN  A 201 (-3.6A)
FMN  A 201 (-3.8A)
FMN  A 201 (-3.8A)
FMN  A 201 (-3.4A)
None
FMN  A 201 (-3.4A)
 0.44A 1bu5A-5vegA:
22.6		 1bu5A-5vegA:
25.14
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.
5xpd SUGAR TRANSPORTER

(Arabidopsis
thaliana) 		PF00301
(Rubredoxin)
PF03083
(MtN3_slv) 		4 ASN A 236
THR A 250
GLY A 240
ASP A 241
 None
 0.92A 1bu5A-5xpdA:
undetectable		 1bu5A-5xpdA:
19.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xra CANNABINOID RECEPTOR
1,FLAVODOXIN,CANNABI
NOID RECEPTOR 1

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00001
(7tm_1)
PF00258
(Flavodoxin_1) 		6 THR A1012
ASN A1014
THR A1059
TRP A1060
GLY A1094
ASP A1095
 FMN  A 601 ( 3.2A)
FMN  A 601 ( 4.1A)
FMN  A 601 ( 3.8A)
FMN  A 601 ( 4.2A)
FMN  A 601 ( 3.4A)
None
 0.73A 1bu5A-5xraA:
29.5		 1bu5A-5xraA:
42.82
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.
5xu6 INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Cryptococcus
neoformans) 		PF06090
(Ins_P5_2-kin) 		4 THR A 260
TRP A 229
GLY A 214
TYR A 195
 None
 1.02A 1bu5A-5xu6A:
undetectable		 1bu5A-5xu6A:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyi 40S RIBOSOMAL
PROTEIN S4

(Trichomonas
vaginalis) 		PF00900
(Ribosomal_S4e)
PF01479
(S4)
PF08071
(RS4NT)
PF16121
(40S_S4_C) 		4 ASN E 127
THR E 146
GLY E 144
ASP E 143
 None
G  2 112 ( 3.6A)
U  2 228 ( 4.7A)
None
 0.99A 1bu5A-5xyiE:
undetectable		 1bu5A-5xyiE:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zkp PLATELET-ACTIVATING
FACTOR
RECEPTOR,FLAVODOXIN,
PLATELET-ACTIVATING
FACTOR RECEPTOR

(Desulfovibrio
vulgaris;
Homo sapiens) 		no annotation 6 THR A1011
ASN A1013
THR A1058
TRP A1059
GLY A1093
ASP A1094
 FMN  A1202 (-3.7A)
FMN  A1202 (-4.1A)
FMN  A1202 (-3.7A)
FMN  A1202 (-4.3A)
FMN  A1202 (-3.2A)
None
 0.56A 1bu5A-5zkpA:
30.3		 1bu5A-5zkpA:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aun PLA2G6, IPLA2BETA

(Cricetulus
griseus) 		no annotation 4 THR A 531
THR A 466
GLY A 431
ASP A 430
 None
 1.01A 1bu5A-6aunA:
undetectable		 1bu5A-6aunA:
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.
6c0b TOXIN B

(Clostridioides
difficile) 		no annotation 4 THR A1543
ASN A1553
THR A1520
ASP A1522
 None
 1.00A 1bu5A-6c0bA:
undetectable		 1bu5A-6c0bA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ft1 FLAVODOXIN

(Bacillus cereus) 		no annotation 4 ASN A  14
THR A  59
ASP A  93
TYR A  96
 FMN  A1001 (-3.6A)
FMN  A1001 (-3.8A)
FMN  A1001 (-4.8A)
FMN  A1001 (-3.5A)
 0.42A 1bu5A-6ft1A:
24.2		 1bu5A-6ft1A:
29.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gun -

(-) 		no annotation 4 THR A  64
GLY A  58
ASP A  57
TYR A  98
 None
 1.02A 1bu5A-6gunA:
2.3		 1bu5A-6gunA:
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.
6h25 -

(-) 		no annotation 4 ASN D  36
GLY D  43
ASP D  42
TYR D  59
 None
 0.93A 1bu5A-6h25D:
undetectable		 1bu5A-6h25D:
undetectable