SIMILAR PATTERNS OF AMINO ACIDS FOR 5EEW_I_TRPI101

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.
1ezi CMP-N-ACETYLNEURAMIN
IC ACID SYNTHETASE

(Neisseria
meningitidis) 		PF02348
(CTP_transf_3) 		5 ALA A 177
GLY A 112
THR A  35
HIS A  34
ILE A 115
 None
 1.14A 5eewI-1eziA:
undetectable
5eewJ-1eziA:
undetectable		 5eewI-1eziA:
17.03
5eewJ-1eziA:
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 THR A 417
SER A 245
GLY A 412
ALA A 510
THR A 500
 TRA  A 866 (-4.0A)
TRA  A 866 (-2.6A)
None
None
None
 1.12A 5eewI-1l5jA:
undetectable
5eewJ-1l5jA:
0.0		 5eewI-1l5jA:
7.07
5eewJ-1l5jA:
7.07
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.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		5 SER A  95
ALA A  94
GLY A 151
ALA A 177
ILE A 104
 None
 1.00A 5eewI-1odiA:
0.0
5eewJ-1odiA:
0.0		 5eewI-1odiA:
14.71
5eewJ-1odiA:
14.71
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 THR A 287
GLY A 152
ALA A 174
THR A 273
ILE A 167
 None
 1.06A 5eewI-1q8fA:
undetectable
5eewJ-1q8fA:
undetectable		 5eewI-1q8fA:
13.50
5eewJ-1q8fA:
13.50
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 THR A 239
ALA A  54
GLY A  46
ALA A  55
ILE A  68
 None
None
AHZ  A 600 (-3.1A)
None
None
 1.06A 5eewI-1rp0A:
undetectable
5eewJ-1rp0A:
undetectable		 5eewI-1rp0A:
14.98
5eewJ-1rp0A:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t5o TRANSLATION
INITIATION FACTOR
EIF2B, SUBUNIT DELTA

(Archaeoglobus
fulgidus) 		PF01008
(IF-2B) 		5 ARG A 132
THR A 269
ALA A  47
GLY A 232
THR A 166
 None
 1.03A 5eewI-1t5oA:
undetectable
5eewJ-1t5oA:
undetectable		 5eewI-1t5oA:
13.33
5eewJ-1t5oA:
13.33
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ARG A  86
THR A  61
GLY A  92
THR A  91
ILE A  13
 None
 1.12A 5eewI-1vm7A:
undetectable
5eewJ-1vm7A:
undetectable		 5eewI-1vm7A:
12.22
5eewJ-1vm7A:
12.22
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.
1y6j L-LACTATE
DEHYDROGENASE

(Ruminiclostridium
thermocellum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 239
GLY A  14
ALA A  22
THR A  81
ILE A  12
 None
 1.09A 5eewI-1y6jA:
undetectable
5eewJ-1y6jA:
undetectable		 5eewI-1y6jA:
15.48
5eewJ-1y6jA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 SER A 495
GLY A  15
ALA A  23
THR A 252
ILE A  13
 None
FAD  A 803 (-3.2A)
None
FAD  A 803 (-4.6A)
None
 0.96A 5eewI-1yy5A:
0.0
5eewJ-1yy5A:
undetectable		 5eewI-1yy5A:
9.73
5eewJ-1yy5A:
9.73
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.
1z0f RAB14, MEMBER RAS
ONCOGENE FAMILY

(Homo sapiens) 		PF00071
(Ras) 		5 ARG A  82
GLY A  86
ALA A 109
THR A 117
ILE A 119
 None
 0.96A 5eewI-1z0fA:
undetectable
5eewJ-1z0fA:
undetectable		 5eewI-1z0fA:
16.57
5eewJ-1z0fA:
16.57
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.
1z69 COENZYME
F420-DEPENDENT
N(5),N(10)-METHYLENE
TETRAHYDROMETHANOPTE
RIN REDUCTASE

(Methanosarcina
barkeri) 		PF00296
(Bac_luciferase) 		5 ALA A 166
GLY A  91
ALA A 170
THR A 114
ILE A 153
 None
 1.07A 5eewI-1z69A:
undetectable
5eewJ-1z69A:
undetectable		 5eewI-1z69A:
14.37
5eewJ-1z69A:
14.37
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.
2bac PUTATIVE
AMINOOXIDASE

(Cutibacterium
acnes) 		PF01593
(Amino_oxidase) 		5 ALA A  20
GLY A  13
ALA A  21
THR A 253
ILE A  11
 None
FAD  A 500 (-3.2A)
None
None
None
 1.04A 5eewI-2bacA:
undetectable
5eewJ-2bacA:
undetectable		 5eewI-2bacA:
11.58
5eewJ-2bacA:
11.58
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 ALA A 292
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
 1.06A 5eewI-2dw4A:
undetectable
5eewJ-2dw4A:
undetectable		 5eewI-2dw4A:
8.15
5eewJ-2dw4A:
8.15
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 SER A 817
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
 0.89A 5eewI-2dw4A:
undetectable
5eewJ-2dw4A:
undetectable		 5eewI-2dw4A:
8.15
5eewJ-2dw4A:
8.15
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 GLY B 677
ALA B 688
THR B 417
HIS B 682
ILE B 676
 None
None
None
NI  B 901 (-2.8A)
None
 1.11A 5eewI-2fffB:
undetectable
5eewJ-2fffB:
undetectable		 5eewI-2fffB:
11.03
5eewJ-2fffB:
11.03
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 ALA A 448
HIS A 343
ALA A 449
THR A 409
ILE A 429
 None
 0.98A 5eewI-2gq3A:
undetectable
5eewJ-2gq3A:
undetectable		 5eewI-2gq3A:
7.86
5eewJ-2gq3A:
7.86
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.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 251
GLY A  28
ALA A  36
THR A 138
THR A  97
 None
 1.14A 5eewI-2hlpA:
undetectable
5eewJ-2hlpA:
undetectable		 5eewI-2hlpA:
14.62
5eewJ-2hlpA:
14.62
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.
2i3a N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A  23
HIS A  59
ALA A  87
HIS A  58
ILE A  25
 None
 0.92A 5eewI-2i3aA:
undetectable
5eewJ-2i3aA:
undetectable		 5eewI-2i3aA:
12.78
5eewJ-2i3aA:
12.78
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.
2nrh TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE,
BAF FAMILY

(Campylobacter
jejuni) 		PF03309
(Pan_kinase) 		5 THR A  95
ALA A  78
GLY A  72
ALA A  77
ILE A  73
 None
 1.05A 5eewI-2nrhA:
undetectable
5eewJ-2nrhA:
undetectable		 5eewI-2nrhA:
18.14
5eewJ-2nrhA:
18.14
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.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		5 ALA A 276
ALA A 273
THR A 252
HIS A 199
ILE A 203
 None
 1.07A 5eewI-2o2cA:
undetectable
5eewJ-2o2cA:
undetectable		 5eewI-2o2cA:
9.57
5eewJ-2o2cA:
9.57
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.
2pan GLYOXYLATE
CARBOLIGASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A 391
ALA A 400
GLY A 394
ALA A 399
THR A 259
 None
None
TDP  A 801 (-3.6A)
None
FAD  A 701 (-3.2A)
 1.09A 5eewI-2panA:
undetectable
5eewJ-2panA:
undetectable		 5eewI-2panA:
9.74
5eewJ-2panA:
9.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aex THREONINE SYNTHASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 ALA A 293
GLY A 187
ALA A 292
THR A 317
ILE A 241
 None
AN7  A1001 (-3.5A)
None
AN7  A1001 (-2.8A)
AN7  A1001 (-4.7A)
 1.07A 5eewI-3aexA:
undetectable
5eewJ-3aexA:
undetectable		 5eewI-3aexA:
11.36
5eewJ-3aexA:
11.36
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.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		5 THR A 295
GLY A 166
ALA A 194
THR A 284
ILE A 187
 None
 0.98A 5eewI-3b9gA:
undetectable
5eewJ-3b9gA:
undetectable		 5eewI-3b9gA:
13.11
5eewJ-3b9gA:
13.11
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 SER A 448
ALA A 450
GLY A 482
HIS A 440
ILE A 437
 None
None
None
MG  A   1 (-3.3A)
None
 1.14A 5eewI-3bgaA:
1.6
5eewJ-3bgaA:
1.5		 5eewI-3bgaA:
5.55
5eewJ-3bgaA:
5.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3byw PUTATIVE
ARABINOFURANOSYLTRAN
SFERASE

(Corynebacterium
diphtheriae) 		PF04602
(Arabinose_trans) 		5 ALA A  67
GLY A  86
ALA A 188
THR A  87
ILE A 169
 None
 1.16A 5eewI-3bywA:
undetectable
5eewJ-3bywA:
undetectable		 5eewI-3bywA:
22.45
5eewJ-3bywA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3csk PROBABLE
DIPEPTIDYL-PEPTIDASE
3

(Saccharomyces
cerevisiae) 		PF03571
(Peptidase_M49) 		5 ALA A  42
GLY A 322
ALA A  39
THR A 391
ILE A 321
 None
 1.13A 5eewI-3cskA:
undetectable
5eewJ-3cskA:
undetectable		 5eewI-3cskA:
7.05
5eewJ-3cskA:
7.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8o UNCHARACTERIZED
PROTEIN WITH
FERREDOXIN-LIKE FOLD

(Deinococcus
radiodurans) 		PF03992
(ABM) 		5 SER A  21
ALA A 107
GLY A  77
HIS A  80
HIS A  82
 UNL  A 200 ( 4.9A)
None
None
None
UNL  A 200 (-4.1A)
 1.16A 5eewI-3e8oA:
undetectable
5eewJ-3e8oA:
undetectable		 5eewI-3e8oA:
19.83
5eewJ-3e8oA:
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.
3fdi UNCHARACTERIZED
PROTEIN

(Eubacterium
ventriosum) 		PF13189
(Cytidylate_kin2) 		5 ALA A  24
GLY A  16
HIS A  17
THR A 186
ILE A   8
 None
SO4  A2003 (-3.6A)
None
None
None
 1.01A 5eewI-3fdiA:
undetectable
5eewJ-3fdiA:
undetectable		 5eewI-3fdiA:
22.44
5eewJ-3fdiA:
22.44
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.
3i6d PROTOPORPHYRINOGEN
OXIDASE

(Bacillus
subtilis) 		PF01593
(Amino_oxidase) 		5 ALA A  19
GLY A  12
ALA A  20
THR A 284
ILE A  10
 None
FAD  A 600 (-3.4A)
None
None
None
 1.03A 5eewI-3i6dA:
undetectable
5eewJ-3i6dA:
undetectable		 5eewI-3i6dA:
14.25
5eewJ-3i6dA:
14.25
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.
3ihm STYRENE
MONOOXYGENASE A

(Pseudomonas
putida) 		no annotation 5 ARG A  57
SER A 312
ALA A 311
ALA A 308
THR A  54
 None
 1.14A 5eewI-3ihmA:
undetectable
5eewJ-3ihmA:
undetectable		 5eewI-3ihmA:
9.65
5eewJ-3ihmA:
9.65
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 SER A 322
GLY A  86
ALA A  94
THR A 246
ILE A  84
 None
AHZ  A 500 (-3.0A)
None
None
None
 1.13A 5eewI-3jskA:
undetectable
5eewJ-3jskA:
undetectable		 5eewI-3jskA:
13.37
5eewJ-3jskA:
13.37
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.
3kto RESPONSE REGULATOR
RECEIVER PROTEIN

(Pseudoalteromonas
atlantica) 		PF00072
(Response_reg) 		5 SER A 107
ALA A 106
GLY A  72
ALA A 103
THR A  88
 None
 1.12A 5eewI-3ktoA:
undetectable
5eewJ-3ktoA:
undetectable		 5eewI-3ktoA:
18.94
5eewJ-3ktoA:
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.
3kto RESPONSE REGULATOR
RECEIVER PROTEIN

(Pseudoalteromonas
atlantica) 		PF00072
(Response_reg) 		5 SER A 107
ALA A 108
GLY A  58
ALA A 109
HIS A  85
 None
 1.13A 5eewI-3ktoA:
undetectable
5eewJ-3ktoA:
undetectable		 5eewI-3ktoA:
18.94
5eewJ-3ktoA:
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.
3lov PROTOPORPHYRINOGEN
OXIDASE

(Exiguobacterium
sibiricum) 		PF01593
(Amino_oxidase) 		5 ALA A  17
GLY A  10
ALA A  18
THR A 283
ILE A   8
 None
FAD  A 500 (-3.3A)
None
None
None
 1.08A 5eewI-3lovA:
undetectable
5eewJ-3lovA:
undetectable		 5eewI-3lovA:
10.78
5eewJ-3lovA:
10.78
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.
3nec INFLAMMATORY
PROFILIN

(Toxoplasma
gondii) 		PF00235
(Profilin) 		5 SER A  71
ALA A  70
GLY A  90
HIS A  50
ILE A  88
 None
 1.12A 5eewI-3necA:
undetectable
5eewJ-3necA:
undetectable		 5eewI-3necA:
22.52
5eewJ-3necA:
22.52
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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		5 THR A 293
ALA A  20
GLY A  12
ALA A  21
ILE A  33
 None
None
FAD  A 501 (-3.2A)
None
None
 0.96A 5eewI-3nixA:
undetectable
5eewJ-3nixA:
undetectable		 5eewI-3nixA:
11.11
5eewJ-3nixA:
11.11
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.
3ot5 UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Listeria
monocytogenes) 		PF02350
(Epimerase_2) 		5 ALA A 105
GLY A  11
ALA A 106
THR A  40
ILE A   9
 None
 1.03A 5eewI-3ot5A:
undetectable
5eewJ-3ot5A:
undetectable		 5eewI-3ot5A:
13.22
5eewJ-3ot5A:
13.22
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.
3pea ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 ALA A  23
GLY A 104
HIS A 103
ALA A  61
HIS A  53
 None
 1.13A 5eewI-3peaA:
undetectable
5eewJ-3peaA:
undetectable		 5eewI-3peaA:
15.87
5eewJ-3peaA:
15.87
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.
3rv2 S-ADENOSYLMETHIONINE
SYNTHASE

(Mycobacterium
marinum) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 ARG A 383
ALA A 376
GLY A  16
ALA A  24
ILE A  81
 None
 1.06A 5eewI-3rv2A:
undetectable
5eewJ-3rv2A:
undetectable		 5eewI-3rv2A:
13.33
5eewJ-3rv2A:
13.33
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.
3swx PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 ALA A 120
GLY A 178
ALA A 117
THR A 153
ILE A 179
 None
 1.15A 5eewI-3swxA:
undetectable
5eewJ-3swxA:
undetectable		 5eewI-3swxA:
14.72
5eewJ-3swxA:
14.72
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.
3tm9 BACTERIAL HEMOGLOBIN

(Vitreoscilla
stercoraria) 		PF00042
(Globin) 		5 ALA A 113
HIS A  20
ALA A 114
THR A  13
ILE A 106
 None
 1.13A 5eewI-3tm9A:
undetectable
5eewJ-3tm9A:
undetectable		 5eewI-3tm9A:
22.70
5eewJ-3tm9A:
22.70
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.
3tpc SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00106
(adh_short) 		5 ALA A 127
GLY A 143
ALA A 128
HIS A  81
ILE A 186
 None
 1.09A 5eewI-3tpcA:
undetectable
5eewJ-3tpcA:
undetectable		 5eewI-3tpcA:
15.08
5eewJ-3tpcA:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT

(Geobacillus sp.
Y412MC52) 		PF00005
(ABC_tran) 		5 HIS A 518
HIS A 886
HIS A 927
THR A 928
ILE A 891
 None
 1.14A 5eewI-3ux8A:
undetectable
5eewJ-3ux8A:
undetectable		 5eewI-3ux8A:
7.91
5eewJ-3ux8A:
7.91
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 ALA A 546
GLY A 569
HIS A 568
ALA A 545
THR A 539
 None
 1.16A 5eewI-3w5nA:
1.8
5eewJ-3w5nA:
2.0		 5eewI-3w5nA:
5.72
5eewJ-3w5nA:
5.72
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.
3wpe TOLL-LIKE RECEPTOR 9

(Bos taurus) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 SER A 148
GLY A 133
HIS A 151
THR A 152
ILE A 134
 None
 1.16A 5eewI-3wpeA:
undetectable
5eewJ-3wpeA:
undetectable		 5eewI-3wpeA:
7.17
5eewJ-3wpeA:
7.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zte TRYPTOPHAN OPERON
RNA-BINDING
ATTENUATION PROTEIN
(TRAP)

(Bacillus
licheniformis) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  33
HIS A  34
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
None
TRP  A  80 ( 4.9A)
TRP  A  80 (-2.8A)
None
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.23A 5eewI-3zteA:
14.6
5eewJ-3zteA:
14.4		 5eewI-3zteA:
78.21
5eewJ-3zteA:
78.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzl TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
halodurans) 		PF02081
(TrpBP) 		7 ALA A  46
GLY A  23
HIS A  33
HIS A  34
THR A  49
HIS A  51
THR A  52
 TRP  A  81 ( 3.7A)
TRP  A  81 (-3.5A)
None
TRP  A  81 ( 4.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.91A 5eewI-3zzlA:
13.4
5eewJ-3zzlA:
13.4		 5eewI-3zzlA:
71.43
5eewJ-3zzlA:
71.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzl TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
halodurans) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
 TRP  A  81 (-3.5A)
None
TRP  A  81 ( 4.7A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.27A 5eewI-3zzlA:
13.4
5eewJ-3zzlA:
13.4		 5eewI-3zzlA:
71.43
5eewJ-3zzlA:
71.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzq TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		6 ALA A  46
GLY A  23
HIS A  33
HIS A  34
THR A  49
THR A  52
 TRP  A  81 ( 3.7A)
TRP  A  81 (-3.4A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
 0.99A 5eewI-3zzqA:
14.0
5eewJ-3zzqA:
14.1		 5eewI-3zzqA:
80.00
5eewJ-3zzqA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzq TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
THR A  52
ILE A  55
 TRP  A  81 (-3.4A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 4.4A)
 0.17A 5eewI-3zzqA:
14.0
5eewJ-3zzqA:
14.1		 5eewI-3zzqA:
80.00
5eewJ-3zzqA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzs TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		7 ALA A  46
GLY A  23
HIS A  33
HIS A  34
THR A  49
HIS A  51
THR A  52
 TRP  A1072 ( 3.8A)
TRP  A1072 (-3.5A)
None
TRP  A1072 ( 4.7A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
 1.02A 5eewI-3zzsA:
13.8
5eewJ-3zzsA:
13.9		 5eewI-3zzsA:
100.00
5eewJ-3zzsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzs TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		8 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
None
TRP  A1072 ( 4.7A)
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.08A 5eewI-3zzsA:
13.8
5eewJ-3zzsA:
13.9		 5eewI-3zzsA:
100.00
5eewJ-3zzsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b27 TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		7 ALA A  46
GLY A  23
HIS A  33
HIS A  34
THR A  49
HIS A  51
THR A  52
 ALA  A  46 ( 0.0A)
GLY  A  23 (-0.0A)
HIS  A  33 ( 1.0A)
HIS  A  34 ( 1.0A)
THR  A  49 (-0.8A)
HIS  A  51 ( 1.0A)
THR  A  52 (-0.8A)
 1.06A 5eewI-4b27A:
13.4
5eewJ-4b27A:
13.5		 5eewI-4b27A:
76.32
5eewJ-4b27A:
76.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b27 TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		8 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 GLY  A  23 (-0.0A)
HIS  A  33 ( 1.0A)
HIS  A  34 ( 1.0A)
ALA  A  46 ( 0.0A)
THR  A  49 (-0.8A)
HIS  A  51 ( 1.0A)
THR  A  52 (-0.8A)
ILE  A  55 ( 0.6A)
 0.18A 5eewI-4b27A:
13.4
5eewJ-4b27A:
13.5		 5eewI-4b27A:
76.32
5eewJ-4b27A:
76.32
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.
4bu0 S-M CHECKPOINT
CONTROL PROTEIN RAD4

(Schizosaccharomyces
pombe) 		PF12738
(PTCB-BRCT) 		5 ARG A  37
ALA A  34
HIS A  46
ALA A  29
ILE A  25
 None
None
GOL  A1187 (-4.7A)
None
None
 1.16A 5eewI-4bu0A:
undetectable
5eewJ-4bu0A:
undetectable		 5eewI-4bu0A:
16.76
5eewJ-4bu0A:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 SER A 504
ALA A 500
THR A 572
THR A 545
ILE A 547
 None
 1.11A 5eewI-4bx9A:
undetectable
5eewJ-4bx9A:
undetectable		 5eewI-4bx9A:
7.91
5eewJ-4bx9A:
7.91
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.
4co6 NUCLEOPROTEIN

(Nipah
henipavirus) 		PF00973
(Paramyxo_ncap) 		5 SER A  67
ALA A  65
GLY A 127
ALA A  64
ILE A 131
 None
 1.15A 5eewI-4co6A:
undetectable
5eewJ-4co6A:
undetectable		 5eewI-4co6A:
14.58
5eewJ-4co6A:
14.58
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.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth)
PF02464
(CinA) 		5 THR A 271
ALA A 388
GLY A 276
THR A 266
ILE A 279
 None
 1.11A 5eewI-4ctaA:
undetectable
5eewJ-4ctaA:
undetectable		 5eewI-4ctaA:
12.96
5eewJ-4ctaA:
12.96
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.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		6 ALA A 131
GLY A 124
HIS A 123
ALA A 138
THR A 117
ILE A 140
 None
 1.29A 5eewI-4d9iA:
undetectable
5eewJ-4d9iA:
undetectable		 5eewI-4d9iA:
11.42
5eewJ-4d9iA:
11.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ebj AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE

(Pseudomonas
aeruginosa) 		PF01909
(NTP_transf_2) 		5 ALA A 174
GLY A  90
ALA A 177
THR A  93
HIS A 118
 SO4  A 303 (-3.6A)
None
None
None
None
 1.10A 5eewI-4ebjA:
undetectable
5eewJ-4ebjA:
undetectable		 5eewI-4ebjA:
14.71
5eewJ-4ebjA:
14.71
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 THR A  76
ALA A  69
HIS A  54
THR A  55
ILE A  57
 None
 1.16A 5eewI-4fc7A:
undetectable
5eewJ-4fc7A:
undetectable		 5eewI-4fc7A:
16.60
5eewJ-4fc7A:
16.60
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 ALA A 365
GLY A 358
ALA A 366
THR A 418
ILE A 356
 None
AMP  A 602 (-3.6A)
None
None
None
 1.11A 5eewI-4gvlA:
undetectable
5eewJ-4gvlA:
undetectable		 5eewI-4gvlA:
10.47
5eewJ-4gvlA:
10.47
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 ALA A 365
HIS A 359
ALA A 366
THR A 418
ILE A 416
 None
ZN  A 601 (-3.4A)
None
None
None
 1.06A 5eewI-4gvlA:
undetectable
5eewJ-4gvlA:
undetectable		 5eewI-4gvlA:
10.47
5eewJ-4gvlA:
10.47
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 ALA A 365
GLY A 358
ALA A 366
THR A 418
ILE A 356
 None
 1.09A 5eewI-4gx0A:
undetectable
5eewJ-4gx0A:
undetectable		 5eewI-4gx0A:
8.70
5eewJ-4gx0A:
8.70
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 ALA A 365
HIS A 359
ALA A 366
THR A 418
ILE A 416
 None
ZN  A 606 (-3.5A)
None
None
None
 1.14A 5eewI-4gx0A:
undetectable
5eewJ-4gx0A:
undetectable		 5eewI-4gx0A:
8.70
5eewJ-4gx0A:
8.70
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 ALA A 396
GLY A 389
ALA A 397
THR A 626
ILE A 387
 None
FAD  A 901 (-3.3A)
None
None
None
 1.05A 5eewI-4hsuA:
undetectable
5eewJ-4hsuA:
undetectable		 5eewI-4hsuA:
7.64
5eewJ-4hsuA:
7.64
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 SER A 811
GLY A 389
ALA A 397
THR A 626
ILE A 387
 None
FAD  A 901 (-3.3A)
None
None
None
 0.93A 5eewI-4hsuA:
undetectable
5eewJ-4hsuA:
undetectable		 5eewI-4hsuA:
7.64
5eewJ-4hsuA:
7.64
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.
4i4n INTRACELLULAR
PROTEASE/AMIDASE

(Vibrio cholerae) 		no annotation 5 ALA A  58
GLY A 190
THR A  80
HIS A  76
ILE A 154
 None
 1.13A 5eewI-4i4nA:
undetectable
5eewJ-4i4nA:
undetectable		 5eewI-4i4nA:
12.10
5eewJ-4i4nA:
12.10
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.
4lx4 ENDOGLUCANASE(ENDO-1
,4-BETA-GLUCANASE)PR
OTEIN

(Pseudomonas
stutzeri) 		PF00150
(Cellulase) 		5 THR A 148
ALA A 155
GLY A 176
ALA A 156
ILE A 174
 None
 0.89A 5eewI-4lx4A:
undetectable
5eewJ-4lx4A:
undetectable		 5eewI-4lx4A:
13.42
5eewJ-4lx4A:
13.42
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.
4lz6 BH2163 PROTEIN

(Bacillus
halodurans) 		PF01554
(MatE) 		5 SER A 271
GLY A  55
THR A 129
THR A 132
ILE A  58
 None
 1.08A 5eewI-4lz6A:
undetectable
5eewJ-4lz6A:
undetectable		 5eewI-4lz6A:
11.37
5eewJ-4lz6A:
11.37
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.
4qgs ALCOHOL
DEHYDROGENASE YQHD

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 SER A 129
ALA A 130
GLY A 124
ALA A 106
ILE A 119
 None
 1.10A 5eewI-4qgsA:
undetectable
5eewJ-4qgsA:
undetectable		 5eewI-4qgsA:
11.89
5eewJ-4qgsA:
11.89
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.
4qn8 VIPE

(Legionella
pneumophila) 		no annotation 5 ALA A 107
GLY A  68
HIS A 112
ALA A 104
THR A  80
 None
 1.10A 5eewI-4qn8A:
undetectable
5eewJ-4qn8A:
undetectable		 5eewI-4qn8A:
18.12
5eewJ-4qn8A:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ALA A 589
GLY A 289
ALA A 590
THR A 442
THR A 438
 None
BEF  A1732 (-3.0A)
None
None
BEF  A1732 ( 3.7A)
 1.03A 5eewI-4umvA:
undetectable
5eewJ-4umvA:
undetectable		 5eewI-4umvA:
7.07
5eewJ-4umvA:
7.07
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.
4usi NITROGEN REGULATORY
PROTEIN PII

(Chlamydomonas
reinhardtii) 		PF00543
(P-II) 		5 ARG A  29
THR A  36
ALA A  97
ALA A  96
ILE A 109
 None
 1.16A 5eewI-4usiA:
undetectable
5eewJ-4usiA:
undetectable		 5eewI-4usiA:
25.17
5eewJ-4usiA:
25.17
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.
4uug AMINE TRANSAMINASE

(Aspergillus
fumigatus) 		PF01063
(Aminotran_4) 		5 ARG A 196
ALA A 160
GLY A 213
THR A 163
ILE A 218
 None
 1.15A 5eewI-4uugA:
undetectable
5eewJ-4uugA:
undetectable		 5eewI-4uugA:
12.62
5eewJ-4uugA:
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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		5 ALA A 274
GLY A 284
ALA A 293
THR A 278
ILE A 285
 None
 1.05A 5eewI-4yhsA:
undetectable
5eewJ-4yhsA:
undetectable		 5eewI-4yhsA:
14.02
5eewJ-4yhsA:
14.02
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.
4ztb PROTEASE NSP2

(Chikungunya
virus) 		PF01707
(Peptidase_C9) 		5 ALA A 280
HIS A 140
HIS A 309
THR A 308
ILE A 268
 None
 1.05A 5eewI-4ztbA:
undetectable
5eewJ-4ztbA:
undetectable		 5eewI-4ztbA:
14.60
5eewJ-4ztbA:
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.
5b7n MTA/SAH NUCLEOSIDASE

(Aeromonas
hydrophila) 		PF01048
(PNP_UDP_1) 		5 ALA A 217
GLY A 115
ALA A 105
THR A 245
HIS A 248
 None
 1.01A 5eewI-5b7nA:
undetectable
5eewJ-5b7nA:
undetectable		 5eewI-5b7nA:
15.74
5eewJ-5b7nA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		5 ALA A 244
GLY A 290
HIS A 293
ALA A 250
ILE A 254
 None
 1.08A 5eewI-5dgqA:
undetectable
5eewJ-5dgqA:
undetectable		 5eewI-5dgqA:
8.27
5eewJ-5dgqA:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		5 ARG A 252
ALA A 250
GLY A 227
THR A 261
ILE A 230
 None
 0.98A 5eewI-5dqpA:
undetectable
5eewJ-5dqpA:
undetectable		 5eewI-5dqpA:
13.17
5eewJ-5dqpA:
13.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eex TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		7 ALA A  46
GLY A  23
HIS A  33
HIS A  34
THR A  49
HIS A  51
THR A  52
 None
 1.04A 5eewI-5eexA:
16.0
5eewJ-5eexA:
15.2		 5eewI-5eexA:
100.00
5eewJ-5eexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eex TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		8 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 None
 0.09A 5eewI-5eexA:
16.0
5eewJ-5eexA:
15.2		 5eewI-5eexA:
100.00
5eewJ-5eexA:
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.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		5 THR A 250
ALA A 376
HIS A 232
ALA A 402
THR A 279
 None
 1.00A 5eewI-5esoA:
undetectable
5eewJ-5esoA:
undetectable		 5eewI-5esoA:
7.88
5eewJ-5esoA:
7.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fac ALANINE RACEMASE

(Streptomyces
coelicolor) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ARG A 328
SER A 311
ALA A 310
GLY A 305
ALA A 369
 None
 1.04A 5eewI-5facA:
undetectable
5eewJ-5facA:
undetectable		 5eewI-5facA:
10.98
5eewJ-5facA:
10.98
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.
5ggg PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1

(Homo sapiens) 		PF03071
(GNT-I)
PF15711
(ILEI) 		5 ALA A 189
GLY A 181
HIS A 184
THR A 151
ILE A 131
 None
 1.01A 5eewI-5gggA:
undetectable
5eewJ-5gggA:
undetectable		 5eewI-5gggA:
8.92
5eewJ-5gggA:
8.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ggk PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1

(Homo sapiens) 		PF15711
(ILEI) 		5 ALA A 189
GLY A 181
HIS A 184
THR A 151
ILE A 131
 None
 1.04A 5eewI-5ggkA:
1.4
5eewJ-5ggkA:
1.4		 5eewI-5ggkA:
23.23
5eewJ-5ggkA:
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.
5hpn PERMUTED PDUA

(synthetic
construct) 		PF00936
(BMC) 		5 SER A  48
ALA A  49
GLY A  28
ALA A  74
THR A  79
 None
 1.15A 5eewI-5hpnA:
undetectable
5eewJ-5hpnA:
undetectable		 5eewI-5hpnA:
23.16
5eewJ-5hpnA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		5 THR A 377
SER A 315
ALA A 400
GLY A 381
ILE A 382
 None
 1.14A 5eewI-5j84A:
undetectable
5eewJ-5j84A:
undetectable		 5eewI-5j84A:
8.03
5eewJ-5j84A:
8.03
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.
5jn6 UNCHARACTERIZED
PROTEIN

(Rhodopseudomonas
palustris) 		no annotation 5 ALA A  36
GLY A  16
ALA A  37
HIS A  49
ILE A  17
 None
 1.15A 5eewI-5jn6A:
undetectable
5eewJ-5jn6A:
undetectable		 5eewI-5jn6A:
24.18
5eewJ-5jn6A:
24.18
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 ALA A 292
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A 901 (-3.3A)
None
None
None
 1.07A 5eewI-5l3dA:
undetectable
5eewJ-5l3dA:
undetectable		 5eewI-5l3dA:
6.27
5eewJ-5l3dA:
6.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 SER A 817
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A 901 (-3.3A)
None
None
None
 0.92A 5eewI-5l3dA:
undetectable
5eewJ-5l3dA:
undetectable		 5eewI-5l3dA:
6.27
5eewJ-5l3dA:
6.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		5 GLY A  80
THR A 199
HIS A  77
THR A  54
ILE A 118
 None
 1.11A 5eewI-5lgcA:
undetectable
5eewJ-5lgcA:
undetectable		 5eewI-5lgcA:
17.89
5eewJ-5lgcA:
17.89
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 ALA A 157
GLY A  77
HIS A 151
ALA A 158
ILE A  79
 None
 1.14A 5eewI-5oe5A:
undetectable
5eewJ-5oe5A:
undetectable		 5eewI-5oe5A:
11.81
5eewJ-5oe5A:
11.81
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.
5sy4 CHAPERONE YAJL

(Escherichia
coli) 		PF01965
(DJ-1_PfpI) 		5 ALA A 104
GLY A 165
ALA A 103
THR A  21
ILE A 168
 None
 0.98A 5eewI-5sy4A:
undetectable
5eewJ-5sy4A:
undetectable		 5eewI-5sy4A:
17.62
5eewJ-5sy4A:
17.62
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 SER A 724
ALA A 725
GLY A 874
ALA A 726
THR A 846
 SO4  A2003 (-2.4A)
None
None
None
None
 1.15A 5eewI-5ux5A:
undetectable
5eewJ-5ux5A:
undetectable		 5eewI-5ux5A:
5.76
5eewJ-5ux5A:
5.76
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 SER A 724
GLY A 874
ALA A 726
THR A 846
ILE A 696
 SO4  A2003 (-2.4A)
None
None
None
None
 1.15A 5eewI-5ux5A:
undetectable
5eewJ-5ux5A:
undetectable		 5eewI-5ux5A:
5.76
5eewJ-5ux5A:
5.76
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.
5w0s 60 KDA CHAPERONIN

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		5 ALA A 165
GLY A 148
HIS A 401
THR A 403
ILE A 144
 None
 1.15A 5eewI-5w0sA:
undetectable
5eewJ-5w0sA:
undetectable		 5eewI-5w0sA:
10.23
5eewJ-5w0sA:
10.23
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.
5ygr DIAMINOPROPIONATE
AMMONIA LYASE

(Salmonella
enterica) 		no annotation 5 GLY A 126
ALA A 133
THR A 122
THR A 124
ILE A 159
 PO4  A 504 (-4.5A)
None
None
PO4  A 504 (-3.6A)
None
 1.00A 5eewI-5ygrA:
undetectable
5eewJ-5ygrA:
undetectable		 5eewI-5ygrA:
undetectable
5eewJ-5ygrA:
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 SER A 149
GLY A 134
HIS A 152
THR A 153
ILE A 135
 None
 1.11A 5eewI-5zlnA:
undetectable
5eewJ-5zlnA:
undetectable		 5eewI-5zlnA:
undetectable
5eewJ-5zlnA:
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.
6c7v -

(-) 		no annotation 5 ARG A   5
ALA A 221
GLY A 217
ALA A 200
ILE A 187
 None
 1.01A 5eewI-6c7vA:
undetectable
5eewJ-6c7vA:
undetectable		 5eewI-6c7vA:
undetectable
5eewJ-6c7vA:
undetectable