SIMILAR PATTERNS OF AMINO ACIDS FOR 5OEX_B_CUB601_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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		3 HIS A 133
ASP A 144
HIS A 143
 None
 0.75A 5oexB-1cemA:
undetectable		 5oexB-1cemA:
22.03
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		3 HIS A 128
ASP A 188
HIS A 270
 CUZ  A4801 (-3.2A)
None
CUZ  A4801 (-3.2A)
 0.63A 5oexB-1fwxA:
8.0		 5oexB-1fwxA:
22.49
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		3 HIS A 270
ASP A 188
HIS A 128
 CUZ  A4801 (-3.2A)
None
CUZ  A4801 (-3.2A)
 0.77A 5oexB-1fwxA:
8.0		 5oexB-1fwxA:
22.49
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.
1k0g P-AMINOBENZOATE
SYNTHASE COMPONENT I

(Escherichia
coli) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		3 HIS A 147
ASP A  47
HIS A  35
 None
 0.65A 5oexB-1k0gA:
0.0		 5oexB-1k0gA:
23.06
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		3 HIS A 193
ASP A 189
HIS A 270
 FE  A 900 ( 3.4A)
FE  A 900 ( 2.5A)
FE  A 900 ( 3.4A)
 0.73A 5oexB-1o2dA:
0.0		 5oexB-1o2dA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		3 HIS A 270
ASP A 189
HIS A 193
 FE  A 900 ( 3.4A)
FE  A 900 ( 2.5A)
FE  A 900 ( 3.4A)
 0.34A 5oexB-1o2dA:
0.0		 5oexB-1o2dA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qni NITROUS-OXIDE
REDUCTASE

(Marinobacter
hydrocarbonoclasticus) 		no annotation 3 HIS A 128
ASP A 188
HIS A 270
 CUZ  A 801 (-3.1A)
None
CUZ  A 801 (-3.3A)
 0.69A 5oexB-1qniA:
6.2		 5oexB-1qniA:
22.86
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.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		3 HIS A 200
ASP A 196
HIS A 277
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
ZN  A 387 (-3.3A)
 0.75A 5oexB-1rrmA:
undetectable		 5oexB-1rrmA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		3 HIS A 277
ASP A 196
HIS A 200
 ZN  A 387 (-3.3A)
ZN  A 387 (-2.6A)
ZN  A 387 ( 3.3A)
 0.35A 5oexB-1rrmA:
undetectable		 5oexB-1rrmA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryn PROTEIN CRS2

(Zea mays) 		PF01195
(Pept_tRNA_hydro) 		3 HIS A  22
ASP A  94
HIS A 114
 HIS  A  22 ( 1.0A)
ASP  A  94 ( 0.6A)
HIS  A 114 ( 1.0A)
 0.65A 5oexB-1rynA:
undetectable		 5oexB-1rynA:
19.03
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		3 HIS A 199
ASP A 195
HIS A 282
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
FE  A 400 ( 3.3A)
 0.73A 5oexB-1vljA:
undetectable		 5oexB-1vljA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		3 HIS A 282
ASP A 195
HIS A 199
 FE  A 400 ( 3.3A)
FE  A 400 (-2.2A)
FE  A 400 ( 3.3A)
 0.36A 5oexB-1vljA:
undetectable		 5oexB-1vljA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wz8 ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		3 HIS A 151
ASP A 150
HIS A 141
 None
MPD  A3003 (-4.3A)
MPD  A3003 (-3.9A)
 0.69A 5oexB-1wz8A:
undetectable		 5oexB-1wz8A:
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.
1yew PARTICULATE METHANE
MONOOXYGENASE
SUBUNIT C2

(Methylococcus
capsulatus) 		PF04896
(AmoC) 		3 HIS C 173
ASP C 156
HIS C 160
 ZN  C 661 (-3.4A)
ZN  C 661 (-2.3A)
ZN  C 661 (-2.9A)
 0.76A 5oexB-1yewC:
undetectable		 5oexB-1yewC:
20.38
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		3 HIS A 235
ASP A 191
HIS A 109
 ZN  A 251 (-3.3A)
ZN  A 251 ( 2.4A)
ZN  A 251 (-3.2A)
 0.75A 5oexB-2a7mA:
undetectable		 5oexB-2a7mA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2anu HYPOTHETICAL PROTEIN
TM0559

(Thermotoga
maritima) 		no annotation 3 HIS A 195
ASP A  20
HIS A  45
 ZN  A 505 (-3.4A)
ZN  A 505 (-2.0A)
ZN  A 505 ( 3.4A)
 0.39A 5oexB-2anuA:
undetectable		 5oexB-2anuA:
21.06
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.
2e67 HYPOTHETICAL PROTEIN
TTHB029

(Thermus
thermophilus) 		PF04794
(YdjC) 		3 HIS A 215
ASP A  21
HIS A  60
 None
MG  A 301 (-2.6A)
MG  A 301 (-3.3A)
 0.77A 5oexB-2e67A:
undetectable		 5oexB-2e67A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gcu PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 3

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B) 		3 HIS A 194
ASP A  76
HIS A  77
 None
 0.78A 5oexB-2gcuA:
undetectable		 5oexB-2gcuA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		3 HIS A 214
ASP A  20
HIS A  47
 ZN  A1221 (-3.3A)
ZN  A1221 (-2.4A)
ZN  A1221 (-3.1A)
 0.69A 5oexB-2hpiA:
undetectable		 5oexB-2hpiA:
16.18
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.
2hsi PUTATIVE PEPTIDASE
M23

(Pseudomonas
aeruginosa) 		PF01551
(Peptidase_M23) 		3 HIS A 259
ASP A 184
HIS A 180
 ZN  A 283 (-3.6A)
ZN  A 283 (-2.2A)
ZN  A 283 (-3.4A)
 0.67A 5oexB-2hsiA:
undetectable		 5oexB-2hsiA:
20.63
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.
2kkn UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF12850
(Metallophos_2) 		3 HIS A  88
ASP A   9
HIS A  11
 None
 0.70A 5oexB-2kknA:
undetectable		 5oexB-2kknA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nly DIVERGENT
POLYSACCHARIDE
DEACETYLASE
HYPOTHETICAL PROTEIN

(Bacillus
halodurans) 		PF04748
(Polysacc_deac_2) 		3 HIS A 220
ASP A  40
HIS A  86
 None
ZN  A 300 (-2.7A)
ZN  A 300 (-3.3A)
 0.76A 5oexB-2nlyA:
undetectable		 5oexB-2nlyA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ohh TYPE A FLAVOPROTEIN
FPRA

(Methanothermobacter
thermautotrophicus) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		3 HIS A  83
ASP A 170
HIS A 233
 None
FE  A 501 ( 2.3A)
FE  A 501 (-3.2A)
 0.75A 5oexB-2ohhA:
undetectable		 5oexB-2ohhA:
22.90
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.
2rad SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		3 HIS A 283
ASP A 284
HIS A 309
 None
 0.77A 5oexB-2radA:
undetectable		 5oexB-2radA:
21.62
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.
2w3z PUTATIVE DEACETYLASE

(Streptococcus
mutans) 		PF01522
(Polysacc_deac_1) 		3 HIS A 281
ASP A 115
HIS A 166
 PO4  A1313 (-3.9A)
ZN  A1312 (-2.6A)
ZN  A1312 ( 3.3A)
 0.77A 5oexB-2w3zA:
undetectable		 5oexB-2w3zA:
19.79
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		3 HIS A 518
ASP A 339
HIS A 364
 ZN  A1565 (-3.3A)
ZN  A1565 (-2.1A)
ZN  A1565 (-3.2A)
 0.41A 5oexB-2w9mA:
undetectable		 5oexB-2w9mA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB

(Streptococcus
pneumoniae) 		no annotation 3 HIS A 201
ASP A  14
HIS A  42
 MN  A1247 ( 3.3A)
MN  A1247 (-2.1A)
MN  A1247 ( 3.3A)
 0.58A 5oexB-2wjfA:
undetectable		 5oexB-2wjfA:
19.83
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		3 HIS A 660
ASP A 639
HIS A 615
 None
 0.75A 5oexB-3ak5A:
undetectable		 5oexB-3ak5A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		3 HIS A 374
ASP A 349
HIS A 531
 None
 0.73A 5oexB-3auoA:
undetectable		 5oexB-3auoA:
23.03
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		3 HIS A 531
ASP A 349
HIS A 374
 None
 0.51A 5oexB-3auoA:
undetectable		 5oexB-3auoA:
23.03
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.
3ayt PUTATIVE
UNCHARACTERIZED
PROTEIN TTHB071

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		3 HIS A 165
ASP A 196
HIS A 198
 ZN  A 257 ( 3.4A)
ZN  A 257 (-3.0A)
ZN  A 257 (-3.8A)
 0.57A 5oexB-3aytA:
undetectable		 5oexB-3aytA:
19.36
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.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		3 HIS A 684
ASP A 654
HIS A 613
 None
None
VDN  A   1 (-4.3A)
 0.79A 5oexB-3b2rA:
undetectable		 5oexB-3b2rA:
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.
3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF00465
(Fe-ADH) 		3 HIS A 281
ASP A 198
HIS A 202
 FE2  A1388 (-3.6A)
FE2  A1388 (-2.6A)
FE2  A1388 (-3.4A)
 0.42A 5oexB-3bfjA:
undetectable		 5oexB-3bfjA:
22.18
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.
3chx PMOC

(Methylosinus
trichosporium) 		PF04896
(AmoC) 		3 HIS C 146
ASP C 129
HIS C 133
 CU  C 661 (-3.1A)
CU  C 661 (-2.4A)
CU  C 661 (-3.2A)
 0.69A 5oexB-3chxC:
undetectable		 5oexB-3chxC:
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.
3dto BH2835 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		3 HIS A  29
ASP A  59
HIS A  58
 None
 0.56A 5oexB-3dtoA:
undetectable		 5oexB-3dtoA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		3 HIS A  49
ASP A  24
HIS A 262
 ZN  A 301 ( 3.3A)
ZN  A 301 ( 2.2A)
ZN  A 301 ( 3.5A)
 0.79A 5oexB-3e0fA:
undetectable		 5oexB-3e0fA:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		3 HIS A 262
ASP A  24
HIS A  49
 ZN  A 301 ( 3.5A)
ZN  A 301 ( 2.2A)
ZN  A 301 ( 3.3A)
 0.33A 5oexB-3e0fA:
undetectable		 5oexB-3e0fA:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e38 TWO-DOMAIN PROTEIN
CONTAINING PREDICTED
PHP-LIKE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bacteroides
vulgatus) 		PF16392
(DUF5001) 		3 HIS A 216
ASP A  51
HIS A  76
 ZN  A   3 ( 3.2A)
ZN  A   3 ( 2.0A)
ZN  A   3 ( 3.3A)
 0.33A 5oexB-3e38A:
undetectable		 5oexB-3e38A:
20.87
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.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF02542
(YgbB) 		3 HIS A  10
ASP A   8
HIS A  44
 None
 0.66A 5oexB-3f6mA:
undetectable		 5oexB-3f6mA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f8n PEROXIDE OPERON
REGULATOR

(Bacillus
subtilis) 		PF01475
(FUR) 		3 HIS A  91
ASP A  85
HIS A  37
 MN  A 201 (-3.2A)
MN  A 201 (-2.9A)
MN  A 201 (-3.6A)
 0.69A 5oexB-3f8nA:
undetectable		 5oexB-3f8nA:
15.32
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.
3g1p PROTEIN PHNP

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		3 HIS A  81
ASP A 164
HIS A 222
 MN  A 401 (-3.5A)
MN  A 401 (-2.1A)
MN  A 401 (-3.7A)
 0.69A 5oexB-3g1pA:
undetectable		 5oexB-3g1pA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hft WBMS, POLYSACCHARIDE
DEACETYLASE INVOLVED
IN O-ANTIGEN
BIOSYNTHESIS

(Bordetella
bronchiseptica) 		no annotation 3 HIS A 207
ASP A  45
HIS A  91
 EDO  A 261 (-3.8A)
ZN  A 257 (-2.1A)
ZN  A 257 ( 3.4A)
 0.74A 5oexB-3hftA:
undetectable		 5oexB-3hftA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		3 HIS A 198
ASP A 194
HIS A 277
 FE2  A 501 (-3.3A)
FE2  A 501 (-2.2A)
NAD  A1385 ( 3.6A)
 0.76A 5oexB-3ox4A:
undetectable		 5oexB-3ox4A:
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.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		3 HIS A 277
ASP A 194
HIS A 198
 NAD  A1385 ( 3.6A)
FE2  A 501 (-2.2A)
FE2  A 501 (-3.3A)
 0.41A 5oexB-3ox4A:
undetectable		 5oexB-3ox4A:
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.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		3 HIS A  91
ASP A 188
HIS A 241
 MN  A 300 (-3.4A)
MN  A 300 (-2.5A)
MN  A 300 ( 3.4A)
 0.72A 5oexB-3py6A:
undetectable		 5oexB-3py6A:
21.15
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.
3qk8 ENOYL-COA HYDRATASE
ECHA15

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		3 HIS A 150
ASP A 149
HIS A 140
 None
UNL  A 291 ( 3.5A)
UNL  A 291 ( 3.9A)
 0.78A 5oexB-3qk8A:
undetectable		 5oexB-3qk8A:
20.97
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.
3qxb PUTATIVE XYLOSE
ISOMERASE

(Rhodospirillum
rubrum) 		PF01261
(AP_endonuc_2) 		3 HIS A 197
ASP A 234
HIS A 236
 FE  A 304 ( 3.4A)
MN  A 303 ( 2.4A)
MN  A 303 ( 3.3A)
 0.63A 5oexB-3qxbA:
undetectable		 5oexB-3qxbA:
20.63
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.
3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Shewanella
denitrificans) 		PF00465
(Fe-ADH) 		3 HIS A 198
ASP A 194
HIS A 272
 FE  A 360 ( 3.4A)
FE  A 360 (-2.0A)
NI  A 361 (-3.4A)
 0.74A 5oexB-3rf7A:
undetectable		 5oexB-3rf7A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Shewanella
denitrificans) 		PF00465
(Fe-ADH) 		3 HIS A 272
ASP A 194
HIS A 198
 NI  A 361 (-3.4A)
FE  A 360 (-2.0A)
FE  A 360 ( 3.4A)
 0.42A 5oexB-3rf7A:
undetectable		 5oexB-3rf7A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 3 HIS A  78
ASP A 127
HIS A 129
 None
None
CUK  A 702 (-3.5A)
 0.64A 5oexB-3sbqA:
7.3		 5oexB-3sbqA:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sbq NITROUS-OXIDE
REDUCTASE

(Pseudomonas
stutzeri) 		no annotation 3 HIS A 178
ASP A 240
HIS A 326
 CUK  A 702 (-3.1A)
None
CUK  A 702 (-3.1A)
 0.71A 5oexB-3sbqA:
7.3		 5oexB-3sbqA:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sy9 HISTIDINE PORIN OPDC

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		3 HIS A 264
ASP A 299
HIS A 241
 None
 0.62A 5oexB-3sy9A:
undetectable		 5oexB-3sy9A:
22.75
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		3 HIS A  80
ASP A 172
HIS A 398
 ZN  A 600 (-3.6A)
ZN  A 600 (-2.4A)
ZN  A 600 (-3.6A)
 0.74A 5oexB-3t3oA:
undetectable		 5oexB-3t3oA:
21.62
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		3 HIS A 239
ASP A 289
HIS A  94
 UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
UNX  A 608 ( 3.4A)
 0.78A 5oexB-3t8lA:
undetectable		 5oexB-3t8lA:
21.24
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.
3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1) 		3 HIS A  55
ASP A 115
HIS A 184
 ACT  A 402 (-3.9A)
ZN  A 401 ( 2.7A)
ZN  A 401 ( 3.4A)
 0.72A 5oexB-3vusA:
undetectable		 5oexB-3vusA:
21.06
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.
3wfp POLY A POLYMERASE

(synthetic
construct;
Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		3 HIS A 345
ASP A 346
HIS A 377
 None
 0.78A 5oexB-3wfpA:
undetectable		 5oexB-3wfpA:
18.56
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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		3 HIS A 195
ASP A 229
HIS A 231
 MN  A1001 (-3.5A)
MN  A1001 (-2.4A)
MN  A1001 (-3.6A)
 0.59A 5oexB-3wqoA:
undetectable		 5oexB-3wqoA:
21.87
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.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		3 HIS A 665
ASP A 661
HIS A 744
 ZN  A1870 ( 3.2A)
ZN  A1870 ( 1.7A)
ZN  A1870 ( 3.3A)
 0.73A 5oexB-3zdrA:
undetectable		 5oexB-3zdrA:
22.24
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.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		3 HIS A 744
ASP A 661
HIS A 665
 ZN  A1870 ( 3.3A)
ZN  A1870 ( 1.7A)
ZN  A1870 ( 3.2A)
 0.43A 5oexB-3zdrA:
undetectable		 5oexB-3zdrA:
22.24
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.
4awn DEOXYRIBONUCLEASE-1

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		3 HIS A 134
ASP A 168
HIS A 252
 PO4  A 310 (-3.9A)
PO4  A 310 (-2.7A)
PO4  A 310 (-4.1A)
 0.77A 5oexB-4awnA:
undetectable		 5oexB-4awnA:
20.75
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.
4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL

(Homo sapiens) 		PF00753
(Lactamase_B) 		3 HIS A 195
ASP A  83
HIS A  84
 None
 0.75A 5oexB-4chlA:
undetectable		 5oexB-4chlA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f1h TYROSYL-DNA
PHOSPHODIESTERASE 2

(Danio rerio) 		PF03372
(Exo_endo_phos) 		3 HIS A 235
ASP A 271
HIS A 360
 None
 0.78A 5oexB-4f1hA:
0.7		 5oexB-4f1hA:
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.
4f3l CIRCADIAN LOCOMOTER
OUTPUT CYCLES
PROTEIN KAPUT
BMAL1B

(Mus musculus;
Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11)
PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		3 HIS B 149
ASP B 145
HIS A  84
 None
 0.74A 5oexB-4f3lB:
undetectable		 5oexB-4f3lB:
22.97
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.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		3 HIS A  55
ASP A 115
HIS A 184
 ACY  A 702 (-3.8A)
NI  A 701 ( 2.7A)
NI  A 701 ( 3.4A)
 0.76A 5oexB-4f9dA:
undetectable		 5oexB-4f9dA:
21.32
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		3 HIS A 230
ASP A  17
HIS A  42
 ZN  A 302 ( 3.3A)
ZN  A 302 ( 2.2A)
ZN  A 302 ( 3.3A)
 0.56A 5oexB-4gk8A:
undetectable		 5oexB-4gk8A:
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.
4phz PARTICULATE METHANE
MONOOXYGENASE
SUBUNIT C

(Methylocystis
sp. ATCC 49242) 		no annotation 3 HIS K 146
ASP K 129
HIS K 133
 CU  K 301 (-3.3A)
CU  K 301 (-2.4A)
CU  K 301 (-3.5A)
 0.64A 5oexB-4phzK:
undetectable		 5oexB-4phzK:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		3 HIS A 247
ASP A 249
HIS A  67
 None
 0.76A 5oexB-4po0A:
undetectable		 5oexB-4po0A:
23.03
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.
4qgs ALCOHOL
DEHYDROGENASE YQHD

(Escherichia
coli) 		PF00465
(Fe-ADH) 		3 HIS A 198
ASP A 194
HIS A 281
 ZN  A 401 (-3.2A)
ZN  A 401 (-2.5A)
ZN  A 401 (-3.3A)
 0.66A 5oexB-4qgsA:
undetectable		 5oexB-4qgsA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qgs ALCOHOL
DEHYDROGENASE YQHD

(Escherichia
coli) 		PF00465
(Fe-ADH) 		3 HIS A 281
ASP A 194
HIS A 198
 ZN  A 401 (-3.3A)
ZN  A 401 (-2.5A)
ZN  A 401 (-3.2A)
 0.40A 5oexB-4qgsA:
undetectable		 5oexB-4qgsA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ru4 TAIL SPIKE PROTEIN
GP49

(Pseudomonas
virus LKA1) 		PF13229
(Beta_helix) 		3 HIS A 499
ASP A 497
HIS A 460
 None
 0.67A 5oexB-4ru4A:
undetectable		 5oexB-4ru4A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 3 HIS A 475
ASP A 473
HIS A 435
 None
 0.72A 5oexB-4ru5A:
undetectable		 5oexB-4ru5A:
21.87
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.
4rv3 1-PHOSPHATIDYLINOSIT
OL PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF00388
(PI-PLC-X) 		3 HIS A  80
ASP A  31
HIS A  30
 None
INS  A 402 ( 4.3A)
INS  A 402 (-3.6A)
 0.71A 5oexB-4rv3A:
undetectable		 5oexB-4rv3A:
21.32
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.
4u10 POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Aggregatibacter
actinomycetemcomitans) 		PF01522
(Polysacc_deac_1) 		3 HIS A  34
ASP A  99
HIS A 168
 ZN  A 402 ( 3.3A)
ZN  A 401 (-2.4A)
ZN  A 401 (-3.3A)
 0.73A 5oexB-4u10A:
undetectable		 5oexB-4u10A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v33 POLYSACCHARIDE
DEACETYLASE-LIKE
PROTEIN

(Bacillus
anthracis) 		PF01522
(Polysacc_deac_1) 		3 HIS A 150
ASP A 206
HIS A 264
 ACT  A1361 (-4.0A)
ZN  A1362 (-2.7A)
ZN  A1362 ( 3.3A)
 0.78A 5oexB-4v33A:
undetectable		 5oexB-4v33A:
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.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		3 HIS A  44
ASP A 115
HIS A 173
 None
ZN  A 301 (-2.7A)
ZN  A 301 (-3.3A)
 0.70A 5oexB-4wcjA:
undetectable		 5oexB-4wcjA:
21.06
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.
4y9v PARTICLE-ASSOCIATED
LYASE

(Acinetobacter
virus AP22) 		no annotation 3 HIS A 439
ASP A 437
HIS A 402
 49S  A 814 ( 3.4A)
SO4  A 809 ( 4.7A)
SO4  A 809 (-3.9A)
 0.74A 5oexB-4y9vA:
undetectable		 5oexB-4y9vA:
21.36
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.
4ysb METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Myxococcus
xanthus) 		PF00753
(Lactamase_B) 		3 HIS A 170
ASP A  61
HIS A  62
 None
 0.75A 5oexB-4ysbA:
undetectable		 5oexB-4ysbA:
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.
4ysl BETA-LACTAMASE
DOMAIN PROTEIN

(Pseudomonas
putida) 		PF00753
(Lactamase_B) 		3 HIS A 212
ASP A  78
HIS A  79
 GSH  A 302 ( 4.8A)
GSH  A 302 ( 4.4A)
None
 0.77A 5oexB-4yslA:
undetectable		 5oexB-4yslA:
21.47
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		3 HIS A 683
ASP A 685
HIS A 664
 None
 0.73A 5oexB-4yw5A:
5.8		 5oexB-4yw5A:
21.78
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.
4z0v 2',5'-PHOSPHODIESTER
ASE 12

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		3 HIS A 456
ASP A 496
HIS A 599
 None
 0.79A 5oexB-4z0vA:
undetectable		 5oexB-4z0vA:
21.64
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.
5cd6 TPR-DOMAIN
CONTAINING PROTEIN

(Parabacteroides
distasonis) 		PF17128
(DUF5107) 		3 HIS A 344
ASP A 343
HIS A 100
 None
 0.72A 5oexB-5cd6A:
1.7		 5oexB-5cd6A:
22.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 3 HIS A 206
ASP A 314
HIS A 381
 CU  A 601 (-3.2A)
CU  A 601 (-2.0A)
CU  A 601 (-3.2A)
 0.08A 5oexB-5f75A:
72.3		 5oexB-5f75A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7o METHYLTHIOADENOSINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		3 HIS A 170
ASP A 100
HIS A 174
 None
 0.66A 5oexB-5f7oA:
undetectable		 5oexB-5f7oA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i5j NITROUS-OXIDE
REDUCTASE

(Shewanella
denitrificans) 		no annotation 3 HIS A  74
ASP A 123
HIS A 125
 None
 0.59A 5oexB-5i5jA:
8.9		 5oexB-5i5jA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j3p TYROSYL-DNA
PHOSPHODIESTERASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		3 HIS A 226
ASP A 262
HIS A 351
 None
 0.78A 5oexB-5j3pA:
0.6		 5oexB-5j3pA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jmu PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

([Eubacterium]
rectale) 		PF01522
(Polysacc_deac_1) 		3 HIS A 456
ASP A 298
HIS A 346
 None
ZN  A 502 (-2.6A)
ZN  A 502 (-3.3A)
 0.79A 5oexB-5jmuA:
undetectable		 5oexB-5jmuA:
19.50
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.
5jp6 PUTATIVE
POLYSACCHARIDE
DEACETYLASE

(Bdellovibrio
bacteriovorus) 		PF01522
(Polysacc_deac_1) 		3 HIS A 335
ASP A 177
HIS A 227
 None
ZN  A 401 (-2.4A)
ZN  A 401 (-3.0A)
 0.77A 5oexB-5jp6A:
undetectable		 5oexB-5jp6A:
22.65
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 3 HIS A 228
ASP A  23
HIS A  48
 ZN  A1003 (-3.1A)
ZN  A1003 (-2.5A)
ZN  A1003 ( 3.3A)
 0.68A 5oexB-5lewA:
undetectable		 5oexB-5lewA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		3 HIS A 173
ASP A  33
HIS A  82
 CBS  A 301 (-4.3A)
CBS  A 301 (-2.9A)
CBS  A 301 (-3.8A)
 0.73A 5oexB-5lgcA:
undetectable		 5oexB-5lgcA:
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.
5nc6 PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 3 HIS A 230
ASP A  77
HIS A 126
 ACT  A 301 (-4.2A)
ZN  A 302 ( 2.2A)
ZN  A 302 ( 3.3A)
 0.76A 5oexB-5nc6A:
undetectable		 5oexB-5nc6A:
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.
5nek PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 3 HIS A 230
ASP A  77
HIS A 126
 ACT  A 302 (-4.0A)
ZN  A 301 (-2.3A)
ZN  A 301 (-3.4A)
 0.77A 5oexB-5nekA:
undetectable		 5oexB-5nekA:
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.
5nny WIPB

(Legionella
pneumophila) 		no annotation 3 HIS A  34
ASP A 122
HIS A 151
 None
 0.58A 5oexB-5nnyA:
undetectable		 5oexB-5nnyA:
22.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oex -

(-) 		no annotation 3 HIS A 206
ASP A 314
HIS A 381
 CU  A 601 (-3.2A)
CU  A 601 (-2.1A)
CU  A 601 (-3.2A)
 0.20A 5oexB-5oexA:
74.2		 5oexB-5oexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ori ALBUMIN

(Capra hircus) 		no annotation 3 HIS A 246
ASP A 248
HIS A  67
 None
 0.73A 5oexB-5oriA:
undetectable		 5oexB-5oriA:
22.22
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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 3 HIS B 174
ASP B  62
HIS B  63
 None
 0.75A 5oexB-5ve3B:
undetectable		 5oexB-5ve3B:
22.40
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.
5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bifidobacterium
bifidum) 		PF11308
(Glyco_hydro_129) 		3 HIS A 271
ASP A 322
HIS A 366
 CA  A 703 (-3.2A)
CA  A 703 (-2.1A)
CA  A 703 ( 3.3A)
 0.79A 5oexB-5wzrA:
undetectable		 5oexB-5wzrA:
20.61
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 3 HIS A 208
ASP A 204
HIS A 288
 MN  A 501 ( 3.5A)
MN  A 501 ( 2.3A)
NDP  A 502 ( 3.0A)
 0.76A 5oexB-5yvsA:
undetectable		 5oexB-5yvsA:
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.
5yvs ALCOHOL
DEHYDROGENASE

(candidate
divison MSBL1
archaeon
SCGC-AAA259E19) 		no annotation 3 HIS A 288
ASP A 204
HIS A 208
 NDP  A 502 ( 3.0A)
MN  A 501 ( 2.3A)
MN  A 501 ( 3.5A)
 0.36A 5oexB-5yvsA:
undetectable		 5oexB-5yvsA:
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.
6a31 PEPTIDYL-TRNA
HYDROLASE

(Acinetobacter
baumannii) 		no annotation 3 HIS A  22
ASP A  95
HIS A 115
 None
 0.72A 5oexB-6a31A:
undetectable		 5oexB-6a31A:
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.
6gww PEROXIREDOXIN

(Sulfolobus
islandicus) 		no annotation 3 HIS A  41
ASP A  44
HIS A  81
 CSO  A  49 ( 4.4A)
None
None
 0.76A 5oexB-6gwwA:
undetectable		 5oexB-6gwwA:
undetectable