SIMILAR PATTERNS OF AMINO ACIDS FOR 5OEX_A_CUA601_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
 0.67A 5oexA-1cemA:
undetectable		 5oexA-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)
 0.71A 5oexA-1fwxA:
26.8		 5oexA-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)
 0.72A 5oexA-1fwxA:
26.8		 5oexA-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
 0.63A 5oexA-1k0gA:
0.0		 5oexA-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)
 0.68A 5oexA-1o2dA:
0.0		 5oexA-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)
 0.44A 5oexA-1o2dA:
0.0		 5oexA-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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		3 HIS A 302
ASP A 255
HIS A 152
 ZN  A 401 (-3.4A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.3A)
 0.75A 5oexA-1p9eA:
undetectable		 5oexA-1p9eA:
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.
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)
 0.76A 5oexA-1qniA:
24.8		 5oexA-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.
1qni NITROUS-OXIDE
REDUCTASE

(Marinobacter
hydrocarbonoclasticus) 		no annotation 3 HIS A 270
ASP A 188
HIS A 128
 CUZ  A 801 (-3.3A)
None
CUZ  A 801 (-3.1A)
 0.74A 5oexA-1qniA:
24.8		 5oexA-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)
 0.69A 5oexA-1rrmA:
undetectable		 5oexA-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)
 0.45A 5oexA-1rrmA:
undetectable		 5oexA-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)
 0.62A 5oexA-1rynA:
undetectable		 5oexA-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)
 0.69A 5oexA-1vljA:
undetectable		 5oexA-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)
 0.44A 5oexA-1vljA:
undetectable		 5oexA-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)
 0.76A 5oexA-1wz8A:
undetectable		 5oexA-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)
 0.78A 5oexA-1yewC:
undetectable		 5oexA-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)
 0.72A 5oexA-2a7mA:
undetectable		 5oexA-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)
 0.44A 5oexA-2anuA:
undetectable		 5oexA-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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		3 HIS A 229
ASP A 203
HIS A  90
 ZN  A1549 ( 3.2A)
ZN  A1549 (-2.3A)
ZN  A1549 (-3.2A)
 0.80A 5oexA-2bibA:
undetectable		 5oexA-2bibA:
22.47
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		3 HIS A  69
ASP A 212
HIS A 270
 ZN  A 402 (-3.3A)
ZN  A 402 ( 2.3A)
ZN  A 402 (-3.3A)
 0.80A 5oexA-2cbnA:
undetectable		 5oexA-2cbnA:
20.37
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.
2e7y TRNASE Z

(Thermotoga
maritima) 		PF12706
(Lactamase_B_2) 		3 HIS A  53
ASP A 190
HIS A 244
 ZN  A1301 (-3.3A)
ZN  A1301 ( 2.3A)
ZN  A1301 (-3.1A)
 0.76A 5oexA-2e7yA:
3.2		 5oexA-2e7yA:
20.91
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.
2gcu PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 3

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B) 		3 HIS A 194
ASP A  76
HIS A  77
 None
 0.80A 5oexA-2gcuA:
undetectable		 5oexA-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)
 0.68A 5oexA-2hpiA:
undetectable		 5oexA-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)
 0.64A 5oexA-2hsiA:
undetectable		 5oexA-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
 0.75A 5oexA-2kknA:
undetectable		 5oexA-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.
2nyp BETA-LACTAMASE II

(Bacillus cereus) 		PF00753
(Lactamase_B) 		3 HIS A 210
ASP A 168
HIS A  91
 ZN  A 302 (-4.1A)
ZN  A 302 ( 2.3A)
ZN  A 302 (-3.2A)
 0.81A 5oexA-2nypA:
2.2		 5oexA-2nypA:
18.24
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.
2rad SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		3 HIS A 283
ASP A 284
HIS A 309
 None
 0.77A 5oexA-2radA:
undetectable		 5oexA-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.
2v41 PEROXIREDOXIN 6.

(Arenicola
marina) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		3 HIS A  37
ASP A  40
HIS A  77
 None
 0.81A 5oexA-2v41A:
undetectable		 5oexA-2v41A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.45A 5oexA-2w9mA:
undetectable		 5oexA-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)
 0.63A 5oexA-2wjfA:
undetectable		 5oexA-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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		3 HIS A 184
ASP A 310
HIS A 355
 ZN  A 700 (-3.2A)
ZN  A 700 ( 2.6A)
ZN  A 700 (-3.2A)
 0.79A 5oexA-2yheA:
undetectable		 5oexA-2yheA:
20.41
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		3 HIS A 660
ASP A 639
HIS A 615
 None
 0.78A 5oexA-3ak5A:
undetectable		 5oexA-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
 0.81A 5oexA-3auoA:
undetectable		 5oexA-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
 0.44A 5oexA-3auoA:
undetectable		 5oexA-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)
 0.52A 5oexA-3aytA:
undetectable		 5oexA-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.
3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF00465
(Fe-ADH) 		3 HIS A 202
ASP A 198
HIS A 281
 FE2  A1388 (-3.4A)
FE2  A1388 (-2.6A)
FE2  A1388 (-3.6A)
 0.78A 5oexA-3bfjA:
undetectable		 5oexA-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.
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)
 0.47A 5oexA-3bfjA:
undetectable		 5oexA-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)
 0.66A 5oexA-3chxC:
undetectable		 5oexA-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
 0.58A 5oexA-3dtoA:
undetectable		 5oexA-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 5oexA-3e0fA:
undetectable		 5oexA-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)
 0.37A 5oexA-3e0fA:
undetectable		 5oexA-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)
 0.37A 5oexA-3e38A:
undetectable		 5oexA-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
 0.67A 5oexA-3f6mA:
undetectable		 5oexA-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)
 0.78A 5oexA-3f8nA:
undetectable		 5oexA-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)
 0.67A 5oexA-3g1pA:
undetectable		 5oexA-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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB11

(Schizosaccharomyces
pombe) 		PF13656
(RNA_pol_L_2) 		3 HIS K  68
ASP K  38
HIS K  39
 None
 0.81A 5oexA-3h0gK:
undetectable		 5oexA-3h0gK:
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.
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 5oexA-3ox4A:
undetectable		 5oexA-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)
 0.42A 5oexA-3ox4A:
undetectable		 5oexA-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)
 0.71A 5oexA-3py6A:
undetectable		 5oexA-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.
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)
 0.62A 5oexA-3qxbA:
undetectable		 5oexA-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)
 0.73A 5oexA-3rf7A:
undetectable		 5oexA-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)
 0.45A 5oexA-3rf7A:
undetectable		 5oexA-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)
 0.69A 5oexA-3sbqA:
25.2		 5oexA-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)
 0.78A 5oexA-3sbqA:
25.2		 5oexA-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 326
ASP A 240
HIS A 178
 CUK  A 702 (-3.1A)
None
CUK  A 702 (-3.1A)
 0.76A 5oexA-3sbqA:
25.2		 5oexA-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 5oexA-3sy9A:
undetectable		 5oexA-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)
 0.70A 5oexA-3t3oA:
undetectable		 5oexA-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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		3 HIS A 196
ASP A 146
HIS A  56
 None
ZN  A 472 (-3.1A)
ZN  A 472 (-3.3A)
 0.79A 5oexA-3tp9A:
undetectable		 5oexA-3tp9A:
21.90
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.
3uo7 G/T
MISMATCH-SPECIFIC
THYMINE DNA
GLYCOSYLASE

(Homo sapiens) 		PF03167
(UDG) 		3 HIS A 150
ASP A 178
HIS A 179
 None
 0.74A 5oexA-3uo7A:
undetectable		 5oexA-3uo7A:
16.00
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.
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)
 0.60A 5oexA-3wqoA:
undetectable		 5oexA-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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		3 HIS A 222
ASP A 192
HIS A 195
 MN  A1001 ( 4.9A)
MN  A1001 ( 4.5A)
MN  A1001 (-3.5A)
 0.78A 5oexA-3wqoA:
undetectable		 5oexA-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 5oexA-3zdrA:
undetectable		 5oexA-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 5oexA-3zdrA:
undetectable		 5oexA-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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		3 HIS A  67
ASP A 253
HIS A 313
 ZN  A1363 (-3.4A)
ZN  A1363 (-2.5A)
ZN  A1363 ( 3.4A)
 0.81A 5oexA-3zwfA:
undetectable		 5oexA-3zwfA:
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.
4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL

(Homo sapiens) 		PF00753
(Lactamase_B) 		3 HIS A 195
ASP A  83
HIS A  84
 None
 0.78A 5oexA-4chlA:
undetectable		 5oexA-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.
4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL

(Homo sapiens) 		PF00753
(Lactamase_B) 		3 HIS A 195
ASP A 154
HIS A  79
 None
FE  A 501 (-3.1A)
FE  A 501 (-3.5A)
 0.80A 5oexA-4chlA:
undetectable		 5oexA-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.
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
 0.80A 5oexA-4f3lB:
undetectable		 5oexA-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.
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)
 0.57A 5oexA-4gk8A:
undetectable		 5oexA-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.
4mn5 SENSOR PROTEIN
KINASE WALK

(Staphylococcus
aureus) 		PF13426
(PAS_9) 		3 HIS A 271
ASP A 274
HIS A 364
 ZN  A 401 (-3.3A)
ZN  A 401 (-2.1A)
ZN  A 401 (-3.3A)
 0.77A 5oexA-4mn5A:
undetectable		 5oexA-4mn5A:
13.91
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.
4mn6 SENSOR PROTEIN
KINASE WALK

(Staphylococcus
aureus) 		PF13426
(PAS_9) 		3 HIS A 271
ASP A 274
HIS A 364
 ZN  A 401 (-3.1A)
ZN  A 401 (-2.1A)
ZN  A 401 (-2.8A)
 0.79A 5oexA-4mn6A:
undetectable		 5oexA-4mn6A:
12.98
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		3 HIS A 133
ASP A 244
HIS A 326
 ZN  A 404 (-3.3A)
ZN  A 404 (-2.4A)
ZN  A 404 ( 3.3A)
 0.81A 5oexA-4ojxA:
undetectable		 5oexA-4ojxA:
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.
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)
 0.60A 5oexA-4phzK:
undetectable		 5oexA-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
 0.77A 5oexA-4po0A:
undetectable		 5oexA-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)
 0.59A 5oexA-4qgsA:
undetectable		 5oexA-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)
 0.51A 5oexA-4qgsA:
undetectable		 5oexA-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
 0.65A 5oexA-4ru4A:
undetectable		 5oexA-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
 0.70A 5oexA-4ru5A:
undetectable		 5oexA-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.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		3 HIS A 160
ASP A 265
HIS A 312
 ZN  A 401 (-3.2A)
ZN  A 401 ( 2.5A)
ZN  A 401 (-3.4A)
 0.80A 5oexA-4xukA:
undetectable		 5oexA-4xukA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		3 HIS A  89
ASP A 175
HIS A 403
 ZN  A 602 (-3.3A)
ZN  A 602 ( 2.5A)
ZN  A 602 (-3.2A)
 0.80A 5oexA-4xwtA:
undetectable		 5oexA-4xwtA:
21.90
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.
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)
 0.71A 5oexA-4y9vA:
undetectable		 5oexA-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
 0.78A 5oexA-4ysbA:
undetectable		 5oexA-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.
4ysb METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Myxococcus
xanthus) 		PF00753
(Lactamase_B) 		3 HIS A 170
ASP A 129
HIS A  57
 None
FE  A 301 (-3.1A)
FE  A 301 (-3.4A)
 0.78A 5oexA-4ysbA:
undetectable		 5oexA-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
 0.78A 5oexA-4yslA:
undetectable		 5oexA-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
 0.78A 5oexA-4yw5A:
0.0		 5oexA-4yw5A:
21.78
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)
 0.22A 5oexA-5f75A:
72.6		 5oexA-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
 0.64A 5oexA-5f7oA:
undetectable		 5oexA-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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		3 HIS A 119
ASP A 221
HIS A 268
 ZN  A 401 (-3.3A)
ZN  A 401 ( 2.4A)
ZN  A 401 ( 3.2A)
 0.80A 5oexA-5hifA:
undetectable		 5oexA-5hifA:
21.17
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.
5i5j NITROUS-OXIDE
REDUCTASE

(Shewanella
denitrificans) 		no annotation 3 HIS A  74
ASP A 123
HIS A 125
 None
 0.67A 5oexA-5i5jA:
27.8		 5oexA-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.
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)
 0.76A 5oexA-5lewA:
undetectable		 5oexA-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.
5nny WIPB

(Legionella
pneumophila) 		no annotation 3 HIS A  34
ASP A 122
HIS A 151
 None
 0.64A 5oexA-5nnyA:
undetectable		 5oexA-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)
 0.00A 5oexA-5oexA:
77.1		 5oexA-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
 0.76A 5oexA-5oriA:
undetectable		 5oexA-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.
5ue2 MATRILYSIN

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		3 HIS A 158
ASP A 145
HIS A 143
 ZN  A 303 (-3.3A)
ZN  A 303 (-2.7A)
ZN  A 303 (-3.4A)
 0.73A 5oexA-5ue2A:
undetectable		 5oexA-5ue2A:
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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 3 HIS B 174
ASP B  62
HIS B  63
 None
 0.78A 5oexA-5ve3B:
undetectable		 5oexA-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 5oexA-5wzrA:
2.0		 5oexA-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.
5xbq PEROXIREDOXIN

(Pyrococcus
horikoshii) 		no annotation 3 HIS A  38
ASP A  41
HIS A  78
 OCS  A  46 ( 4.6A)
None
None
 0.77A 5oexA-5xbqA:
undetectable		 5oexA-5xbqA:
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 208
ASP A 204
HIS A 288
 MN  A 501 ( 3.5A)
MN  A 501 ( 2.3A)
NDP  A 502 ( 3.0A)
 0.73A 5oexA-5yvsA:
undetectable		 5oexA-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)
 0.42A 5oexA-5yvsA:
undetectable		 5oexA-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
 0.67A 5oexA-6a31A:
undetectable		 5oexA-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
 0.78A 5oexA-6gwwA:
undetectable		 5oexA-6gwwA:
undetectable