SIMILAR PATTERNS OF AMINO ACIDS FOR 3SPK_A_TPVA100_2

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.
1b3q PROTEIN (CHEMOTAXIS
PROTEIN CHEA)

(Thermotoga
maritima) 		PF01584
(CheW)
PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		4 LEU A 406
ASN A 409
GLY A 453
ILE A 454
 None
 0.86A 3spkB-1b3qA:
0.0		 3spkB-1b3qA:
12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ARG A 186
GLY A 423
ILE A 422
THR A 275
 None
 0.82A 3spkB-1bbuA:
0.0		 3spkB-1bbuA:
11.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 LEU A 326
ALA A 379
GLY A 419
ILE A 384
 None
 0.74A 3spkB-1bbuA:
0.0		 3spkB-1bbuA:
11.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bxc XYLOSE ISOMERASE

(Thermus
caldophilus) 		PF01261
(AP_endonuc_2) 		4 ALA A 234
GLY A 212
ILE A 202
THR A 194
 None
 0.89A 3spkB-1bxcA:
0.0		 3spkB-1bxcA:
11.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cli PROTEIN
(PHOSPHORIBOSYL-AMIN
OIMIDAZOLE
SYNTHETASE)

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 LEU A 137
ALA A  47
GLY A  40
THR A  33
 None
 0.83A 3spkB-1cliA:
undetectable		 3spkB-1cliA:
16.10
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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ARG A 186
GLY A 423
ILE A 422
THR A 275
 None
LAD  A 601 ( 3.7A)
None
GOL  A 606 ( 4.4A)
 0.82A 3spkB-1e1tA:
0.0		 3spkB-1e1tA:
11.23
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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 LEU A 326
ALA A 379
GLY A 419
ILE A 384
 None
None
None
GOL  A 609 ( 3.9A)
 0.74A 3spkB-1e1tA:
0.0		 3spkB-1e1tA:
11.23
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.
1epx FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Leishmania
mexicana) 		PF00274
(Glycolytic) 		4 ALA A 253
GLY A 246
ILE A 202
THR A 262
 None
 0.86A 3spkB-1epxA:
undetectable		 3spkB-1epxA:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 ALA A 308
GLY A 105
ILE A 106
THR A  41
 FAD  A 699 ( 3.8A)
FAD  A 699 (-3.6A)
None
None
 0.78A 3spkB-1fcdA:
0.0		 3spkB-1fcdA:
14.00
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.
1fu1 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		4 LEU A 126
ALA A  42
GLY A  45
ILE A  34
 None
 0.68A 3spkB-1fu1A:
0.0		 3spkB-1fu1A:
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.
1htw HI0065

(Haemophilus
influenzae) 		PF02367
(TsaE) 		4 LEU A  38
ALA A 125
GLY A 149
ILE A 152
 None
 0.83A 3spkB-1htwA:
0.0		 3spkB-1htwA:
21.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ALA A  28
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.74A 3spkB-1hvcA:
13.3		 3spkB-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ALA A  28
GLY A  49
ILE A  50
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.74A 3spkB-1hvcA:
13.3		 3spkB-1hvcA:
42.86
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.
1i7o 4-HYDROXYPHENYLACETA
TE DEGRADATION
BIFUNCTIONAL
ISOMERASE/DECARBOXYL
ASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		4 ALA A 153
GLY A  88
ILE A  69
THR A  65
 None
 0.87A 3spkB-1i7oA:
undetectable		 3spkB-1i7oA:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jl7 MONOMER HEMOGLOBIN
COMPONENT III

(Glycera
dibranchiata) 		PF00042
(Globin) 		4 LEU A   2
ALA A  11
GLY A  67
ILE A  66
 None
 0.84A 3spkB-1jl7A:
undetectable		 3spkB-1jl7A:
17.76
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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		4 ARG A 298
ALA A 287
GLY A 244
ILE A 243
 None
 0.87A 3spkB-1kczA:
undetectable		 3spkB-1kczA:
14.60
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.
1khh GUANIDINOACETATE
METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 LEU A 196
ALA A 155
GLY A 163
ILE A 164
 None
 0.87A 3spkB-1khhA:
undetectable		 3spkB-1khhA:
18.78
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.
1mpt M-PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		4 LEU A 135
ALA A 174
GLY A 195
ILE A 165
 None
CA  A 277 (-4.8A)
CA  A 277 (-3.9A)
None
 0.84A 3spkB-1mptA:
undetectable		 3spkB-1mptA:
16.67
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.
1o4w PIN (PILT
N-TERMINUS) DOMAIN

(Archaeoglobus
fulgidus) 		no annotation 4 LEU A 109
ALA A  95
ILE A  45
THR A 104
 None
 0.69A 3spkB-1o4wA:
undetectable		 3spkB-1o4wA:
18.06
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		4 LEU A 233
ALA A  29
GLY A  22
ILE A  23
 None
None
FAD  A 652 (-3.4A)
FAD  A 652 (-4.8A)
 0.87A 3spkB-1o5wA:
undetectable		 3spkB-1o5wA:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhv PROTEIN (ADENOVIRUS
FIBRE)

(Human
mastadenovirus
C) 		PF00541
(Adeno_knob) 		4 LEU A 445
ALA A 440
ILE A 457
THR A 449
 None
 0.66A 3spkB-1qhvA:
undetectable		 3spkB-1qhvA:
20.24
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.
1qiu ADENOVIRUS FIBRE

(Human
mastadenovirus
C) 		PF00541
(Adeno_knob)
PF00608
(Adeno_shaft) 		4 LEU A 445
ALA A 440
ILE A 457
THR A 449
 None
 0.73A 3spkB-1qiuA:
undetectable		 3spkB-1qiuA:
17.72
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.
1qnl ALIPHATIC AMIDASE
EXPRESSION-REGULATIN
G PROTEIN

(Pseudomonas
aeruginosa) 		PF13433
(Peripla_BP_5) 		4 ALA A 240
GLY A 349
ILE A 345
THR A 283
 None
 0.84A 3spkB-1qnlA:
undetectable		 3spkB-1qnlA:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qoz ACETYL XYLAN
ESTERASE

(Trichoderma
reesei) 		PF01083
(Cutinase) 		4 ALA A  93
GLY A   9
ILE A  41
THR A  13
 None
 0.78A 3spkB-1qozA:
undetectable		 3spkB-1qozA:
19.80
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.
1s1d APYRASE

(Homo sapiens) 		PF06079
(Apyrase) 		4 LEU A  59
ALA A  41
GLY A 321
ILE A 320
 None
 0.72A 3spkB-1s1dA:
undetectable		 3spkB-1s1dA:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s2t PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Mytilus edulis) 		PF13714
(PEP_mutase) 		4 LEU A  71
ALA A  32
GLY A  42
ILE A  23
 None
 0.87A 3spkB-1s2tA:
undetectable		 3spkB-1s2tA:
18.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		4 ARG A   8
LEU A  23
ALA A  28
GLY A  49
 None
 0.39A 3spkB-1sivA:
19.0		 3spkB-1sivA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		4 ARG A   8
LEU A  23
GLY A  49
ILE A  50
 None
 0.61A 3spkB-1sivA:
19.0		 3spkB-1sivA:
47.47
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.
1sp0 CYTOCHROME C OXIDASE
ASSEMBLY PROTEIN
CTAG

(Sinorhizobium
meliloti) 		PF04442
(CtaG_Cox11) 		5 LEU A 108
ASN A  72
ALA A  74
GLY A  44
THR A 107
 None
 1.44A 3spkB-1sp0A:
undetectable		 3spkB-1sp0A:
16.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		4 ARG A 318
LEU A 242
ALA A 373
GLY A 408
 None
 0.82A 3spkB-1sqgA:
undetectable		 3spkB-1sqgA:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sxj ACTIVATOR 1 37 KDA
SUBUNIT
ACTIVATOR 1 95 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1)
PF08542
(Rep_fac_C) 		5 ARG B 285
LEU B 286
ALA A 653
GLY A 561
ILE A 563
 None
 1.31A 3spkB-1sxjB:
undetectable		 3spkB-1sxjB:
16.82
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.
1t0i YLR011WP

(Saccharomyces
cerevisiae) 		PF03358
(FMN_red) 		4 LEU A 136
ALA A 119
GLY A   4
THR A  92
 None
 0.89A 3spkB-1t0iA:
undetectable		 3spkB-1t0iA:
23.43
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.
1u0m PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ARG A 275
LEU A 187
ASN A 303
ALA A 305
ILE A 222
 None
None
None
15P  A1000 ( 4.6A)
None
 1.37A 3spkB-1u0mA:
undetectable		 3spkB-1u0mA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		5 ARG A 183
ASN A 196
ALA A  86
GLY A 439
ILE A 438
 None
None
AMP  A1456 ( 3.8A)
AMP  A1456 (-2.8A)
AMP  A1456 (-3.1A)
 1.43A 3spkB-1ua4A:
undetectable		 3spkB-1ua4A:
13.45
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.
1ufo HYPOTHETICAL PROTEIN
TT1662

(Thermus
thermophilus) 		no annotation 4 ARG A  18
LEU A  41
ALA A 110
GLY A 227
 None
 0.82A 3spkB-1ufoA:
undetectable		 3spkB-1ufoA:
18.64
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.
1v59 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 105
ALA A  21
GLY A 340
ILE A 341
 None
 0.80A 3spkB-1v59A:
undetectable		 3spkB-1v59A:
14.22
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.
1vd6 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Thermus
thermophilus) 		PF03009
(GDPD) 		4 LEU A  32
ALA A  16
GLY A 213
ILE A 212
 None
None
None
GOL  A 300 ( 4.9A)
 0.78A 3spkB-1vd6A:
undetectable		 3spkB-1vd6A:
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.
1vgq FORMYL-COENZYME A
TRANSFERASE

(Oxalobacter
formigenes) 		PF02515
(CoA_transf_3) 		4 ARG A 313
LEU A 317
ALA A 257
GLY A 260
 None
 0.70A 3spkB-1vgqA:
undetectable		 3spkB-1vgqA:
12.83
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.
1wy1 HYPOTHETICAL PROTEIN
PH0671

(Pyrococcus
horikoshii) 		PF01923
(Cob_adeno_trans) 		4 LEU A 146
ALA A 130
GLY A 137
ILE A 138
 None
 0.86A 3spkB-1wy1A:
undetectable		 3spkB-1wy1A:
24.36
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.
1xcj GUANIDINOACETATE
N-METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 LEU A 196
ALA A 155
GLY A 163
ILE A 164
 None
 0.82A 3spkB-1xcjA:
undetectable		 3spkB-1xcjA:
17.03
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.
1xfb ALDOLASE C

(Homo sapiens) 		PF00274
(Glycolytic) 		5 ARG A  60
LEU A  63
ALA A 332
GLY A  75
ILE A  30
 None
 1.49A 3spkB-1xfbA:
undetectable		 3spkB-1xfbA:
15.76
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.
1xnf LIPOPROTEIN NLPI

(Escherichia
coli) 		PF07719
(TPR_2)
PF13181
(TPR_8) 		4 ASN A 100
ALA A 132
GLY A 137
ILE A 138
 None
 0.77A 3spkB-1xnfA:
undetectable		 3spkB-1xnfA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y0e PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Staphylococcus
aureus) 		PF04131
(NanE) 		4 LEU A  97
ALA A 126
GLY A 143
ILE A 142
 None
 0.82A 3spkB-1y0eA:
undetectable		 3spkB-1y0eA:
18.98
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		5 ARG A 250
LEU A 184
ALA A 179
GLY A 242
ILE A 243
 None
 1.47A 3spkB-1yw6A:
undetectable		 3spkB-1yw6A:
16.67
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 ARG A 497
ALA A 477
GLY A  17
ILE A  18
THR A  26
 None
None
FAD  A 803 (-3.6A)
FAD  A 803 (-4.7A)
None
 1.28A 3spkB-1yy5A:
undetectable		 3spkB-1yy5A:
11.90
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.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 106
ALA A  22
GLY A 335
ILE A 336
 None
 0.85A 3spkB-1zy8A:
undetectable		 3spkB-1zy8A:
17.24
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.
2aip PROTEIN C ACTIVATOR

(Agkistrodon
contortrix) 		PF00089
(Trypsin) 		4 ALA A 178
GLY A 175
ILE A  98
THR A  94
 None
 0.87A 3spkB-2aipA:
0.6		 3spkB-2aipA:
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.
2bvm TOXIN B

(Clostridioides
difficile) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		4 ASN A 264
ALA A 267
GLY A 470
ILE A 466
 None
None
GLC  A1544 (-3.2A)
None
 0.84A 3spkB-2bvmA:
undetectable		 3spkB-2bvmA:
11.18
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.
2c3z INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Sulfolobus
solfataricus) 		PF00218
(IGPS) 		4 LEU A 157
ALA A 229
GLY A 226
ILE A 198
 None
 0.83A 3spkB-2c3zA:
undetectable		 3spkB-2c3zA:
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.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 LEU A  90
ALA A 255
GLY A 347
ILE A 250
 None
 0.87A 3spkB-2dwsA:
undetectable		 3spkB-2dwsA:
14.47
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.
2dxa PROTEIN YBAK

(Escherichia
coli) 		PF04073
(tRNA_edit) 		4 LEU A  70
GLY A 101
ILE A 103
THR A  64
 None
 0.88A 3spkB-2dxaA:
undetectable		 3spkB-2dxaA:
24.67
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.
2e1t ACYL TRANSFERASE

(Chrysanthemum x
morifolium) 		PF02458
(Transferase) 		4 LEU A 114
GLY A 165
ILE A 164
THR A 118
 None
 0.86A 3spkB-2e1tA:
undetectable		 3spkB-2e1tA:
12.36
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.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		4 LEU A 131
ALA A 185
GLY A 154
ILE A 153
 None
 0.85A 3spkB-2ewnA:
undetectable		 3spkB-2ewnA:
17.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		4 ARG A   8
LEU A  23
ALA A  28
GLY A  55
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
 0.49A 3spkB-2fmbA:
15.0		 3spkB-2fmbA:
31.43
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.
2ft3 BIGLYCAN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		4 LEU A 253
ASN A 251
GLY A 186
ILE A 187
 None
 0.74A 3spkB-2ft3A:
undetectable		 3spkB-2ft3A:
15.41
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.
2fwr DNA REPAIR PROTEIN
RAD25

(Archaeoglobus
fulgidus) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		4 ARG A 327
ALA A 309
GLY A 294
ILE A 295
 None
 0.70A 3spkB-2fwrA:
undetectable		 3spkB-2fwrA:
11.73
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.
2hdw HYPOTHETICAL PROTEIN
PA2218

(Pseudomonas
aeruginosa) 		PF02129
(Peptidase_S15) 		4 ARG A 358
LEU A 337
GLY A 177
ILE A 176
 None
 0.79A 3spkB-2hdwA:
undetectable		 3spkB-2hdwA:
15.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		4 LEU A 371
ALA A 393
GLY A 296
ILE A 297
 None
 0.82A 3spkB-2iluA:
undetectable		 3spkB-2iluA:
12.76
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.
2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 129
GLY A 234
ILE A 150
THR A 146
 None
 0.87A 3spkB-2iwzA:
undetectable		 3spkB-2iwzA:
13.21
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.
2j5u MREC PROTEIN

(Listeria
monocytogenes) 		PF04085
(MreC) 		4 LEU A 207
ALA A 185
GLY A 236
ILE A 237
 None
 0.88A 3spkB-2j5uA:
1.1		 3spkB-2j5uA:
17.25
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.
2jxu TERB

(Klebsiella
pneumoniae) 		PF05099
(TerB) 		4 ALA A  39
GLY A  33
ILE A  57
THR A  96
 None
 0.84A 3spkB-2jxuA:
undetectable		 3spkB-2jxuA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		4 LEU A 790
GLY A 712
ILE A 743
THR A 716
 None
 0.79A 3spkB-2oajA:
undetectable		 3spkB-2oajA:
8.11
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.
2oej 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Geobacillus
kaustophilus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 LEU A 298
ALA A 294
GLY A 126
ILE A 130
 None
 0.62A 3spkB-2oejA:
undetectable		 3spkB-2oejA:
13.98
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.
2ogf HYPOTHETICAL PROTEIN
MJ0408

(Methanocaldococcus
jannaschii) 		PF04038
(DHNA) 		4 ARG A   2
ALA A  22
GLY A  27
ILE A  28
 None
None
None
OXG  A 602 (-3.7A)
 0.82A 3spkB-2ogfA:
undetectable		 3spkB-2ogfA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogi HYPOTHETICAL PROTEIN
SAG1661

(Streptococcus
agalactiae) 		PF01966
(HD) 		5 LEU A 157
ALA A 134
GLY A  52
ILE A  38
THR A 126
 None
None
None
CL  A 304 ( 4.6A)
None
 1.47A 3spkB-2ogiA:
undetectable		 3spkB-2ogiA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2okj GLUTAMATE
DECARBOXYLASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 LEU A 583
ALA A 575
GLY A 194
THR A 552
 None
 0.84A 3spkB-2okjA:
undetectable		 3spkB-2okjA:
12.80
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.
2pd3 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Helicobacter
pylori) 		PF13561
(adh_short_C2) 		4 ALA A 188
GLY A 225
ILE A  24
THR A 193
 NAD  A1780 (-4.5A)
None
None
NAD  A1780 (-3.2A)
 0.87A 3spkB-2pd3A:
undetectable		 3spkB-2pd3A:
17.04
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.
2pkg SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
65 KDA REGULATORY
SUBUNIT A ALPHA
ISOFORM

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		4 LEU A 567
ALA A 582
GLY A 548
ILE A 547
 None
 0.80A 3spkB-2pkgA:
undetectable		 3spkB-2pkgA:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 4 LEU A 571
ASN A 567
GLY A 589
ILE A1057
 None
 0.83A 3spkB-2po4A:
undetectable		 3spkB-2po4A:
6.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 4 LEU A 899
ALA A 240
GLY A 233
ILE A 234
 None
 0.76A 3spkB-2po4A:
undetectable		 3spkB-2po4A:
6.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q6t DNAB REPLICATION
FORK HELICASE

(Thermus
aquaticus) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		4 LEU A 280
ALA A 225
GLY A 233
ILE A 234
 None
 0.70A 3spkB-2q6tA:
undetectable		 3spkB-2q6tA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qxt LIPASE

(Bacillus
subtilis) 		PF01674
(Lipase_2) 		4 LEU A 140
ALA A  81
GLY A  11
ILE A  12
 None
 0.84A 3spkB-2qxtA:
undetectable		 3spkB-2qxtA:
19.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ALA A  28
GLY A  49
ILE A  50
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.50A 3spkB-2rkfA:
20.7		 3spkB-2rkfA:
80.81
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		4 LEU A 333
ALA A 377
GLY A 305
ILE A 306
 None
 0.74A 3spkB-2uvfA:
undetectable		 3spkB-2uvfA:
9.38
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 ARG A 210
ALA A 332
GLY A 329
ILE A 234
 OMT  A2473 (-3.9A)
None
None
None
 0.71A 3spkB-2vdcA:
undetectable		 3spkB-2vdcA:
5.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		4 LEU A 276
ALA A 270
GLY A 240
ILE A 239
 None
 0.81A 3spkB-2vhlA:
undetectable		 3spkB-2vhlA:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vq2 PUTATIVE FIMBRIAL
BIOGENESIS AND
TWITCHING MOTILITY
PROTEIN

(Neisseria
meningitidis) 		PF13429
(TPR_15) 		4 ASN A 108
ALA A 143
GLY A 148
ILE A 149
 None
 0.74A 3spkB-2vq2A:
undetectable		 3spkB-2vq2A:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vqd BIOTIN CARBOXYLASE

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 LEU A 335
GLY A 386
ILE A 339
THR A 390
 None
 0.80A 3spkB-2vqdA:
undetectable		 3spkB-2vqdA:
12.62
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		4 ALA A  83
GLY A  47
ILE A 107
THR A  43
 None
NDP  A1169 (-3.5A)
NDP  A1169 (-4.0A)
None
 0.85A 3spkB-2w3wA:
undetectable		 3spkB-2w3wA:
17.18
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.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 LEU A 204
ASN A 201
ILE A 272
THR A 276
 None
None
None
SN5  A1563 ( 3.3A)
 0.82A 3spkB-2wk2A:
undetectable		 3spkB-2wk2A:
11.85
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.
2wla DPS-LIKE PEROXIDE
RESISTANCE PROTEIN

(Streptococcus
pyogenes) 		PF00210
(Ferritin) 		4 LEU A  83
ALA A  35
GLY A 135
ILE A 138
 None
 0.78A 3spkB-2wlaA:
undetectable		 3spkB-2wlaA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wtk STE20-RELATED KINASE
ADAPTER PROTEIN
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU B 158
GLY B  76
ILE B  75
THR B 161
 None
ANP  B 432 (-3.4A)
ANP  B 432 (-4.4A)
None
 0.83A 3spkB-2wtkB:
undetectable		 3spkB-2wtkB:
13.40
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.
2xgw PEROXIDE RESISTANCE
PROTEIN

(Streptococcus
pyogenes) 		PF00210
(Ferritin) 		4 LEU A  83
ALA A  35
GLY A 135
ILE A 138
 None
 0.80A 3spkB-2xgwA:
undetectable		 3spkB-2xgwA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y5j DIHYDROPTEROATE
SYNTHASE

(Burkholderia
cenocepacia) 		PF00809
(Pterin_bind) 		4 LEU A  87
ALA A  50
GLY A  25
ILE A  26
 None
 0.87A 3spkB-2y5jA:
undetectable		 3spkB-2y5jA:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		4 LEU A 676
ALA A 633
GLY A 557
ILE A 559
 None
 0.86A 3spkB-2yhgA:
undetectable		 3spkB-2yhgA:
12.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yqu 2-OXOGLUTARATE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A  98
ALA A  17
GLY A 317
ILE A 318
 None
 0.87A 3spkB-2yquA:
undetectable		 3spkB-2yquA:
14.49
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 LEU A 233
ALA A  29
GLY A  22
ILE A  23
 None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-4.9A)
 0.85A 3spkB-2z5xA:
undetectable		 3spkB-2z5xA:
12.87
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.
2zm5 TRNA
DELTA(2)-ISOPENTENYL
PYROPHOSPHATE
TRANSFERASE

(Escherichia
coli) 		PF01715
(IPPT) 		4 LEU A 209
ALA A  20
GLY A  17
ILE A 202
 None
 0.85A 3spkB-2zm5A:
undetectable		 3spkB-2zm5A:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zvi 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Bacillus
subtilis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 LEU A 301
ALA A 297
GLY A 129
ILE A 133
 None
 0.65A 3spkB-2zviA:
undetectable		 3spkB-2zviA:
12.62
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.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 LEU A 364
ALA A  22
GLY A  69
ILE A  64
 None
 0.84A 3spkB-2zxhA:
undetectable		 3spkB-2zxhA:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 4 LEU A 485
GLY A 742
ILE A 748
THR A 482
 None
 0.75A 3spkB-3a0fA:
undetectable		 3spkB-3a0fA:
9.72
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.
3a4t PUTATIVE
METHYLTRANSFERASE
MJ0026

(Methanocaldococcus
jannaschii) 		PF01189
(Methyltr_RsmB-F) 		4 ASN A 241
ALA A 240
GLY A 255
ILE A 237
 None
 0.83A 3spkB-3a4tA:
undetectable		 3spkB-3a4tA:
17.23
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.
3c5w PP2A A SUBUNIT

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		4 LEU A 567
ALA A 582
GLY A 548
ILE A 547
 None
 0.75A 3spkB-3c5wA:
undetectable		 3spkB-3c5wA:
17.65
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 ASN A 832
GLY A 861
ILE A 800
THR A 865
 None
 0.84A 3spkB-3cttA:
undetectable		 3spkB-3cttA:
7.47
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.
3d1r FRUCTOSE-1,6-BISPHOS
PHATASE CLASS II
GLPX

(Escherichia
coli) 		PF03320
(FBPase_glpX) 		4 ARG A  26
ALA A 100
GLY A 293
ILE A 294
 None
 0.83A 3spkB-3d1rA:
undetectable		 3spkB-3d1rA:
16.23
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.
3d3y UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF05193
(Peptidase_M16_C) 		4 ARG A 246
ALA A 151
GLY A 317
ILE A 318
 None
 0.79A 3spkB-3d3yA:
undetectable		 3spkB-3d3yA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3da1 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Bacillus
halodurans) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 LEU A 366
ASN A 226
ALA A 228
GLY A  30
ILE A  33
 None
None
FAD  A 609 ( 3.9A)
None
None
 1.44A 3spkB-3da1A:
undetectable		 3spkB-3da1A:
12.86
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.
3dhw D-METHIONINE
TRANSPORT SYSTEM
PERMEASE PROTEIN
METI

(Escherichia
coli) 		PF00528
(BPD_transp_1) 		4 LEU A 199
ALA A 162
GLY A 176
ILE A 175
 None
 0.88A 3spkB-3dhwA:
undetectable		 3spkB-3dhwA:
24.00
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.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		4 ALA A 438
GLY A 300
ILE A 180
THR A 292
 HEM  A 500 (-3.8A)
HEM  A 500 (-3.4A)
None
None
 0.71A 3spkB-3e4eA:
undetectable		 3spkB-3e4eA:
12.64
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.
3e6q PUTATIVE
5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
ISOMERASE

(Pseudomonas
aeruginosa) 		PF02962
(CHMI) 		4 LEU A  21
ALA A   8
GLY A  95
THR A  16
 None
ACT  A 337 (-3.4A)
None
None
 0.70A 3spkB-3e6qA:
undetectable		 3spkB-3e6qA:
18.49