SIMILAR PATTERNS OF AMINO ACIDS FOR 5EF3_P_TRPP101

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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 GLY A 109
ALA A 124
THR A  87
ILE A 107
ALA A 123
 None
 1.22A 5ef3O-1fuiA:
undetectable
5ef3P-1fuiA:
undetectable		 5ef3O-1fuiA:
8.97
5ef3P-1fuiA:
8.97
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.
1h81 POLYAMINE OXIDASE

(Zea mays) 		PF01593
(Amino_oxidase) 		5 GLY A  11
ALA A  20
ILE A  33
THR A 428
ALA A  19
 FAD  A 579 (-3.1A)
None
None
None
None
 1.09A 5ef3O-1h81A:
0.0
5ef3P-1h81A:
0.0		 5ef3O-1h81A:
9.76
5ef3P-1h81A:
9.76
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A 264
HIS A 131
THR A 259
SER A 389
ALA A 388
 None
None
CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
 1.20A 5ef3O-1knrA:
undetectable
5ef3P-1knrA:
undetectable		 5ef3O-1knrA:
9.07
5ef3P-1knrA:
9.07
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 412
ALA A 510
THR A 500
THR A 417
SER A 245
 None
None
None
TRA  A 866 (-4.0A)
TRA  A 866 (-2.6A)
 1.08A 5ef3O-1l5jA:
0.0
5ef3P-1l5jA:
undetectable		 5ef3O-1l5jA:
7.07
5ef3P-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 GLY A 151
ALA A 177
ILE A 104
SER A  95
ALA A  94
 None
 1.03A 5ef3O-1odiA:
undetectable
5ef3P-1odiA:
0.0		 5ef3O-1odiA:
14.71
5ef3P-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.
1r0l 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Zymomonas
mobilis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 GLY A  11
ALA A 109
ILE A 101
THR A   8
ALA A  90
 NDP  A 400 (-3.1A)
None
NDP  A 400 (-3.9A)
None
None
 1.11A 5ef3O-1r0lA:
undetectable
5ef3P-1r0lA:
undetectable		 5ef3O-1r0lA:
11.76
5ef3P-1r0lA:
11.76
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 GLY A  46
ALA A  55
ILE A  68
THR A 239
ALA A  54
 AHZ  A 600 (-3.1A)
None
None
None
None
 1.10A 5ef3O-1rp0A:
0.0
5ef3P-1rp0A:
undetectable		 5ef3O-1rp0A:
14.98
5ef3P-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.
1v9c PRECORRIN-8X METHYL
MUTASE

(Thermus
thermophilus) 		PF02570
(CbiC) 		5 GLY A 188
ALA A 196
THR A  49
THR A 183
THR A  40
 None
 1.15A 5ef3O-1v9cA:
undetectable
5ef3P-1v9cA:
0.0		 5ef3O-1v9cA:
19.25
5ef3P-1v9cA:
19.25
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.
1xhl SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY MEMBER
(5L265), PUTATIVE
TROPINONE
REDUCTASE-II

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 GLY A  17
ALA A  22
ILE A  18
THR A  46
ALA A  23
 NDP  A1278 (-3.1A)
None
NDP  A1278 (-4.0A)
None
None
 1.03A 5ef3O-1xhlA:
undetectable
5ef3P-1xhlA:
undetectable		 5ef3O-1xhlA:
16.80
5ef3P-1xhlA:
16.80
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.
1y6j L-LACTATE
DEHYDROGENASE

(Ruminiclostridium
thermocellum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  14
ALA A  22
THR A  81
ILE A  12
ALA A 239
 None
 1.14A 5ef3O-1y6jA:
undetectable
5ef3P-1y6jA:
undetectable		 5ef3O-1y6jA:
15.48
5ef3P-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 GLY A  15
ALA A  23
THR A 252
ILE A  13
SER A 495
 FAD  A 803 (-3.2A)
None
FAD  A 803 (-4.6A)
None
None
 1.03A 5ef3O-1yy5A:
undetectable
5ef3P-1yy5A:
undetectable		 5ef3O-1yy5A:
9.73
5ef3P-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.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY A  58
THR A  50
THR A  57
ILE A  74
ALA A  66
 None
 1.16A 5ef3O-1zfjA:
undetectable
5ef3P-1zfjA:
undetectable		 5ef3O-1zfjA:
10.25
5ef3P-1zfjA:
10.25
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		5 GLY A 227
THR A 186
HIS A 185
THR A 184
ILE A 226
 None
 1.18A 5ef3O-1zwxA:
undetectable
5ef3P-1zwxA:
undetectable		 5ef3O-1zwxA:
13.62
5ef3P-1zwxA:
13.62
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 285
ALA A 293
THR A 624
ILE A 283
ALA A 292
 FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
None
 1.10A 5ef3O-2dw4A:
undetectable
5ef3P-2dw4A:
undetectable		 5ef3O-2dw4A:
8.15
5ef3P-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 GLY A 285
ALA A 293
THR A 624
ILE A 283
SER A 817
 FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
None
 0.93A 5ef3O-2dw4A:
undetectable
5ef3P-2dw4A:
undetectable		 5ef3O-2dw4A:
8.15
5ef3P-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
 1.03A 5ef3O-2fffB:
undetectable
5ef3P-2fffB:
undetectable		 5ef3O-2fffB:
11.03
5ef3P-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.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		5 GLY A 184
ALA A 217
ILE A 183
SER A 219
ALA A 218
 LLP  A  58 ( 3.5A)
None
None
None
None
 1.14A 5ef3O-2gn1A:
undetectable
5ef3P-2gn1A:
undetectable		 5ef3O-2gn1A:
11.99
5ef3P-2gn1A:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		5 GLY A 185
ALA A 217
ILE A 183
SER A 219
ALA A 218
 LLP  A  58 ( 3.8A)
None
None
None
None
 1.14A 5ef3O-2gn1A:
undetectable
5ef3P-2gn1A:
undetectable		 5ef3O-2gn1A:
11.99
5ef3P-2gn1A:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 HIS A 343
ALA A 449
THR A 409
ILE A 429
ALA A 448
 None
 1.11A 5ef3O-2gq3A:
undetectable
5ef3P-2gq3A:
undetectable		 5ef3O-2gq3A:
7.86
5ef3P-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 GLY A  28
ALA A  36
THR A 138
THR A  97
ALA A 251
 None
 1.15A 5ef3O-2hlpA:
undetectable
5ef3P-2hlpA:
undetectable		 5ef3O-2hlpA:
14.62
5ef3P-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
 0.88A 5ef3O-2i3aA:
undetectable
5ef3P-2i3aA:
undetectable		 5ef3O-2i3aA:
12.78
5ef3P-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 GLY A  72
ALA A  77
ILE A  73
THR A  95
ALA A  78
 None
 1.07A 5ef3O-2nrhA:
undetectable
5ef3P-2nrhA:
undetectable		 5ef3O-2nrhA:
18.14
5ef3P-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.
2nzu CATABOLITE CONTROL
PROTEIN

(Bacillus
megaterium) 		PF13377
(Peripla_BP_3) 		5 ALA G 145
HIS G 131
ILE G 121
SER G 147
ALA G 146
 None
 1.19A 5ef3O-2nzuG:
undetectable
5ef3P-2nzuG:
undetectable		 5ef3O-2nzuG:
15.10
5ef3P-2nzuG:
15.10
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.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		5 ALA A 273
THR A 252
HIS A 199
ILE A 203
ALA A 276
 None
 1.02A 5ef3O-2o2cA:
undetectable
5ef3P-2o2cA:
undetectable		 5ef3O-2o2cA:
9.57
5ef3P-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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		5 GLY A  87
ALA A  92
THR A  60
SER A  94
ALA A  93
 SAM  A 300 (-3.2A)
None
None
None
None
 1.19A 5ef3O-2oxtA:
undetectable
5ef3P-2oxtA:
undetectable		 5ef3O-2oxtA:
11.76
5ef3P-2oxtA:
11.76
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.
3aex THREONINE SYNTHASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 GLY A 187
ALA A 292
THR A 317
ILE A 241
ALA A 293
 AN7  A1001 (-3.5A)
None
AN7  A1001 (-2.8A)
AN7  A1001 (-4.7A)
None
 1.07A 5ef3O-3aexA:
undetectable
5ef3P-3aexA:
undetectable		 5ef3O-3aexA:
11.36
5ef3P-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 GLY A 166
ALA A 194
THR A 284
ILE A 187
THR A 295
 None
 1.06A 5ef3O-3b9gA:
undetectable
5ef3P-3b9gA:
undetectable		 5ef3O-3b9gA:
13.11
5ef3P-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.
3byw PUTATIVE
ARABINOFURANOSYLTRAN
SFERASE

(Corynebacterium
diphtheriae) 		PF04602
(Arabinose_trans) 		5 GLY A  86
ALA A 188
THR A  87
ILE A 169
ALA A  67
 None
 1.21A 5ef3O-3bywA:
undetectable
5ef3P-3bywA:
undetectable		 5ef3O-3bywA:
22.45
5ef3P-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.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 ALA A 187
THR A 426
THR A 414
ILE A 184
SER A 191
 None
 0.95A 5ef3O-3cb5A:
undetectable
5ef3P-3cb5A:
undetectable		 5ef3O-3cb5A:
9.95
5ef3P-3cb5A:
9.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3csk PROBABLE
DIPEPTIDYL-PEPTIDASE
3

(Saccharomyces
cerevisiae) 		PF03571
(Peptidase_M49) 		5 GLY A 322
ALA A  39
THR A 391
ILE A 321
ALA A  42
 None
 1.15A 5ef3O-3cskA:
undetectable
5ef3P-3cskA:
undetectable		 5ef3O-3cskA:
7.05
5ef3P-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.
3dp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00891
(Methyltransf_2) 		5 GLY A  58
ALA A  67
THR A  60
ILE A  56
ALA A  66
 None
 1.20A 5ef3O-3dp7A:
undetectable
5ef3P-3dp7A:
undetectable		 5ef3O-3dp7A:
15.60
5ef3P-3dp7A:
15.60
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 GLY A 174
ALA A 140
THR A 457
ILE A 173
THR A 442
 None
 1.20A 5ef3O-3hpaA:
undetectable
5ef3P-3hpaA:
undetectable		 5ef3O-3hpaA:
10.65
5ef3P-3hpaA:
10.65
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 GLY A  86
ALA A  94
THR A 246
ILE A  84
SER A 322
 AHZ  A 500 (-3.0A)
None
None
None
None
 1.15A 5ef3O-3jskA:
undetectable
5ef3P-3jskA:
undetectable		 5ef3O-3jskA:
13.37
5ef3P-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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 GLY A 192
THR A 151
HIS A 150
THR A 149
ILE A 191
 None
 1.15A 5ef3O-3k55A:
undetectable
5ef3P-3k55A:
undetectable		 5ef3O-3k55A:
13.73
5ef3P-3k55A:
13.73
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.
3kto RESPONSE REGULATOR
RECEIVER PROTEIN

(Pseudoalteromonas
atlantica) 		PF00072
(Response_reg) 		6 GLY A  58
ALA A 109
HIS A  85
ILE A 128
SER A 107
ALA A 108
 None
 1.24A 5ef3O-3ktoA:
undetectable
5ef3P-3ktoA:
undetectable		 5ef3O-3ktoA:
18.94
5ef3P-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 GLY A  72
ALA A 103
THR A  88
SER A 107
ALA A 106
 None
 1.14A 5ef3O-3ktoA:
undetectable
5ef3P-3ktoA:
undetectable		 5ef3O-3ktoA:
18.94
5ef3P-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.
3mog PROBABLE
3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Escherichia
coli) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A  19
ALA A  24
ILE A  20
SER A  26
ALA A  25
 None
 1.20A 5ef3O-3mogA:
undetectable
5ef3P-3mogA:
undetectable		 5ef3O-3mogA:
9.19
5ef3P-3mogA:
9.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3on3 KETO/OXOACID
FERREDOXIN
OXIDOREDUCTASE,
GAMMA SUBUNIT

(Geobacter
sulfurreducens) 		PF01558
(POR) 		5 GLY A  21
ALA A  27
ILE A  23
SER A  29
ALA A  28
 None
 1.02A 5ef3O-3on3A:
undetectable
5ef3P-3on3A:
undetectable		 5ef3O-3on3A:
15.68
5ef3P-3on3A:
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.
3pea ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 GLY A 104
HIS A 103
ALA A  61
HIS A  53
ALA A  23
 None
 1.17A 5ef3O-3peaA:
undetectable
5ef3P-3peaA:
undetectable		 5ef3O-3peaA:
15.87
5ef3P-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.
3rwb PYRIDOXAL
4-DEHYDROGENASE

(Mesorhizobium
loti) 		PF13561
(adh_short_C2) 		5 GLY A 160
ALA A 140
THR A 116
THR A 165
SER A 138
 None
 1.19A 5ef3O-3rwbA:
undetectable
5ef3P-3rwbA:
undetectable		 5ef3O-3rwbA:
16.06
5ef3P-3rwbA:
16.06
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.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Haemophilus
influenzae) 		PF00275
(EPSP_synthase) 		5 GLY A 130
ALA A 175
THR A 156
ILE A 171
ALA A 178
 None
 1.22A 5ef3O-3sweA:
undetectable
5ef3P-3sweA:
undetectable		 5ef3O-3sweA:
12.56
5ef3P-3sweA:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3swx PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 GLY A 178
ALA A 117
THR A 153
ILE A 179
ALA A 120
 None
 1.15A 5ef3O-3swxA:
undetectable
5ef3P-3swxA:
undetectable		 5ef3O-3swxA:
14.72
5ef3P-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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 GLY A 196
ALA A 202
ILE A 198
SER A 204
ALA A 203
 None
 1.19A 5ef3O-3tmaA:
undetectable
5ef3P-3tmaA:
undetectable		 5ef3O-3tmaA:
12.54
5ef3P-3tmaA:
12.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wpe TOLL-LIKE RECEPTOR 9

(Bos taurus) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A 133
HIS A 151
THR A 152
ILE A 134
SER A 148
 None
 1.18A 5ef3O-3wpeA:
undetectable
5ef3P-3wpeA:
undetectable		 5ef3O-3wpeA:
7.17
5ef3P-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) 		6 GLY A  23
HIS A  33
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
None
TRP  A  80 (-2.8A)
None
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.31A 5ef3O-3zteA:
14.2
5ef3P-3zteA:
14.2		 5ef3O-3zteA:
78.21
5ef3P-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) 		6 GLY A  23
HIS A  33
ALA A  46
THR A  49
HIS A  51
THR A  52
 TRP  A  81 (-3.5A)
None
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.37A 5ef3O-3zzlA:
13.0
5ef3P-3zzlA:
13.0		 5ef3O-3zzlA:
71.43
5ef3P-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) 		6 GLY A  23
HIS A  33
THR A  49
HIS A  51
THR A  52
ALA A  46
 TRP  A  81 (-3.5A)
None
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
TRP  A  81 ( 3.7A)
 1.01A 5ef3O-3zzlA:
13.0
5ef3P-3zzlA:
13.0		 5ef3O-3zzlA:
71.43
5ef3P-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 GLY A  23
HIS A  33
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 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 4.4A)
 0.21A 5ef3O-3zzqA:
13.5
5ef3P-3zzqA:
13.6		 5ef3O-3zzqA:
80.00
5ef3P-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) 		5 GLY A  23
HIS A  33
THR A  49
THR A  52
ALA A  46
 TRP  A  81 (-3.4A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 3.7A)
 0.87A 5ef3O-3zzqA:
13.5
5ef3P-3zzqA:
13.6		 5ef3O-3zzqA:
80.00
5ef3P-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 GLY A  23
HIS A  33
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
None
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.25A 5ef3O-3zzsA:
13.4
5ef3P-3zzsA:
13.4		 5ef3O-3zzsA:
100.00
5ef3P-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) 		6 GLY A  23
HIS A  33
THR A  49
HIS A  51
THR A  52
ALA A  46
 TRP  A1072 (-3.5A)
None
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 3.8A)
 1.07A 5ef3O-3zzsA:
13.4
5ef3P-3zzsA:
13.4		 5ef3O-3zzsA:
100.00
5ef3P-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 GLY A  23
HIS A  33
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)
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)
 0.34A 5ef3O-4b27A:
13.1
5ef3P-4b27A:
13.1		 5ef3O-4b27A:
76.32
5ef3P-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) 		6 GLY A  23
HIS A  33
THR A  49
HIS A  51
THR A  52
ALA A  46
 GLY  A  23 (-0.0A)
HIS  A  33 ( 1.0A)
THR  A  49 (-0.8A)
HIS  A  51 ( 1.0A)
THR  A  52 (-0.8A)
ALA  A  46 ( 0.0A)
 1.16A 5ef3O-4b27A:
13.1
5ef3P-4b27A:
13.1		 5ef3O-4b27A:
76.32
5ef3P-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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 ALA A 500
THR A 572
THR A 545
ILE A 547
SER A 504
 None
 1.13A 5ef3O-4bx9A:
undetectable
5ef3P-4bx9A:
undetectable		 5ef3O-4bx9A:
7.91
5ef3P-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.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth)
PF02464
(CinA) 		5 GLY A 276
THR A 266
ILE A 279
THR A 271
ALA A 388
 None
 1.15A 5ef3O-4ctaA:
undetectable
5ef3P-4ctaA:
undetectable		 5ef3O-4ctaA:
12.96
5ef3P-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 GLY A 124
HIS A 123
ALA A 138
THR A 117
ILE A 140
ALA A 131
 None
 1.31A 5ef3O-4d9iA:
undetectable
5ef3P-4d9iA:
undetectable		 5ef3O-4d9iA:
11.42
5ef3P-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 GLY A  90
ALA A 177
THR A  93
HIS A 118
ALA A 174
 None
None
None
None
SO4  A 303 (-3.6A)
 1.12A 5ef3O-4ebjA:
undetectable
5ef3P-4ebjA:
undetectable		 5ef3O-4ebjA:
14.71
5ef3P-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.
4efi 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A  21
THR A 315
ILE A 352
SER A  24
ALA A  76
 None
 1.14A 5ef3O-4efiA:
undetectable
5ef3P-4efiA:
undetectable		 5ef3O-4efiA:
11.27
5ef3P-4efiA:
11.27
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.
4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  60
ALA A  80
THR A 144
ILE A  61
ALA A 128
 None
 1.12A 5ef3O-4gkvA:
undetectable
5ef3P-4gkvA:
undetectable		 5ef3O-4gkvA:
13.15
5ef3P-4gkvA:
13.15
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 GLY A 358
ALA A 366
THR A 418
ILE A 356
ALA A 365
 None
 1.12A 5ef3O-4gx0A:
undetectable
5ef3P-4gx0A:
undetectable		 5ef3O-4gx0A:
8.70
5ef3P-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 GLY A 389
ALA A 397
THR A 626
ILE A 387
SER A 811
 FAD  A 901 (-3.3A)
None
None
None
None
 0.98A 5ef3O-4hsuA:
undetectable
5ef3P-4hsuA:
undetectable		 5ef3O-4hsuA:
7.64
5ef3P-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.
4i6m ACTIN-LIKE PROTEIN
ARP9

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 GLY B 191
THR B 340
THR B 339
ILE B 194
THR B 169
 None
 1.04A 5ef3O-4i6mB:
undetectable
5ef3P-4i6mB:
undetectable		 5ef3O-4i6mB:
11.93
5ef3P-4i6mB:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jre IMMUNOGLOBULIN
GAMMA-2A, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B  33
ALA B  79
THR B  53
ILE B  51
SER B  77
 None
 1.05A 5ef3O-4jreB:
undetectable
5ef3P-4jreB:
undetectable		 5ef3O-4jreB:
15.89
5ef3P-4jreB:
15.89
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.
4lx4 ENDOGLUCANASE(ENDO-1
,4-BETA-GLUCANASE)PR
OTEIN

(Pseudomonas
stutzeri) 		PF00150
(Cellulase) 		5 GLY A 176
ALA A 156
ILE A 174
THR A 148
ALA A 155
 None
 0.95A 5ef3O-4lx4A:
undetectable
5ef3P-4lx4A:
undetectable		 5ef3O-4lx4A:
13.42
5ef3P-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.
4ov4 2-ISOPROPYLMALATE
SYNTHASE

(Leptospira
biflexa) 		PF00682
(HMGL-like) 		5 GLY A 213
ALA A 217
THR A 244
HIS A 209
SER A 219
 None
None
None
ZN  A 401 ( 3.4A)
None
 1.15A 5ef3O-4ov4A:
undetectable
5ef3P-4ov4A:
undetectable		 5ef3O-4ov4A:
11.11
5ef3P-4ov4A:
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.
4pzc 3-HYDROXYACYL-COA
DEHYDROGENASE

(Cupriavidus
necator) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A 156
THR A 163
HIS A 164
THR A 159
ALA A 115
 None
 1.15A 5ef3O-4pzcA:
undetectable
5ef3P-4pzcA:
undetectable		 5ef3O-4pzcA:
14.04
5ef3P-4pzcA:
14.04
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.
4q0g PROBABLE
ACETYL-/PROPIONYL-CO
A CARBOXYLASE (BETA
SUBUNIT) ACCD1

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		6 GLY A  84
ALA A  71
HIS A 119
THR A 115
THR A  87
ALA A  68
 None
 1.38A 5ef3O-4q0gA:
undetectable
5ef3P-4q0gA:
undetectable		 5ef3O-4q0gA:
9.33
5ef3P-4q0gA:
9.33
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.
4qgs ALCOHOL
DEHYDROGENASE YQHD

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 GLY A 124
ALA A 106
ILE A 119
SER A 129
ALA A 130
 None
 1.14A 5ef3O-4qgsA:
undetectable
5ef3P-4qgsA:
undetectable		 5ef3O-4qgsA:
11.89
5ef3P-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.
4rqo L-SERINE DEHYDRATASE

(Legionella
pneumophila) 		PF03313
(SDH_alpha)
PF03315
(SDH_beta) 		5 GLY A 403
ALA A 354
HIS A 379
ILE A 296
ALA A 355
 None
 1.16A 5ef3O-4rqoA:
undetectable
5ef3P-4rqoA:
undetectable		 5ef3O-4rqoA:
10.45
5ef3P-4rqoA:
10.45
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A  16
ILE A  12
THR A 328
SER A 230
ALA A 331
 None
 1.20A 5ef3O-4xoxA:
undetectable
5ef3P-4xoxA:
undetectable		 5ef3O-4xoxA:
11.39
5ef3P-4xoxA:
11.39
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A 284
ALA A 293
THR A 278
ILE A 285
ALA A 274
 None
 1.04A 5ef3O-4yhsA:
undetectable
5ef3P-4yhsA:
undetectable		 5ef3O-4yhsA:
14.02
5ef3P-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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 HIS A 364
ALA A 371
HIS A 194
SER A 253
ALA A 292
 PO4  A 605 (-3.7A)
None
PO4  A 605 (-4.3A)
None
None
 1.14A 5ef3O-4z2aA:
undetectable
5ef3P-4z2aA:
undetectable		 5ef3O-4z2aA:
9.03
5ef3P-4z2aA:
9.03
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.
4zej METALLO-BETA-LACTAMA
SE

(Pseudomonas
stutzeri) 		no annotation 5 GLY A 156
ALA A 186
HIS A 139
THR A 212
ALA A 183
 None
None
ZN  A 302 (-3.3A)
None
None
 1.19A 5ef3O-4zejA:
undetectable
5ef3P-4zejA:
undetectable		 5ef3O-4zejA:
18.55
5ef3P-4zejA:
18.55
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.
5ay9 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Ruminococcus
albus) 		PF04041
(Glyco_hydro_130) 		5 GLY A 255
ALA A 325
THR A 322
ILE A 268
ALA A  74
 None
 1.14A 5ef3O-5ay9A:
undetectable
5ef3P-5ay9A:
undetectable		 5ef3O-5ay9A:
12.60
5ef3P-5ay9A:
12.60
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 GLY A 115
ALA A 105
THR A 245
HIS A 248
ALA A 217
 None
 1.03A 5ef3O-5b7nA:
undetectable
5ef3P-5b7nA:
undetectable		 5ef3O-5b7nA:
15.74
5ef3P-5b7nA:
15.74
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 GLY A  23
HIS A  33
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 None
 0.26A 5ef3O-5eexA:
15.8
5ef3P-5eexA:
15.7		 5ef3O-5eexA:
100.00
5ef3P-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) 		6 GLY A  23
HIS A  33
THR A  49
HIS A  51
THR A  52
ALA A  46
 None
 1.10A 5ef3O-5eexA:
15.8
5ef3P-5eexA:
15.7		 5ef3O-5eexA:
100.00
5ef3P-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.
5ggg PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1

(Homo sapiens) 		PF03071
(GNT-I)
PF15711
(ILEI) 		5 GLY A 181
HIS A 184
THR A 151
ILE A 131
ALA A 189
 None
 1.00A 5ef3O-5gggA:
2.0
5ef3P-5gggA:
undetectable		 5ef3O-5gggA:
8.92
5ef3P-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 GLY A 181
HIS A 184
THR A 151
ILE A 131
ALA A 189
 None
 1.01A 5ef3O-5ggkA:
1.3
5ef3P-5ggkA:
1.3		 5ef3O-5ggkA:
23.23
5ef3P-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.
5gin 50S RIBOSOMAL
PROTEIN L7AE

(Sulfolobus
solfataricus) 		PF01248
(Ribosomal_L7Ae) 		5 HIS C  68
THR C  42
THR C  43
SER C 101
ALA C 100
 None
None
None
None
U  H  11 ( 3.7A)
 1.18A 5ef3O-5ginC:
undetectable
5ef3P-5ginC:
undetectable		 5ef3O-5ginC:
22.31
5ef3P-5ginC:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A  28
ALA A  74
THR A  79
SER A  48
ALA A  49
 None
 1.14A 5ef3O-5hpnA:
undetectable
5ef3P-5hpnA:
undetectable		 5ef3O-5hpnA:
23.16
5ef3P-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 GLY A 381
ILE A 382
THR A 377
SER A 315
ALA A 400
 None
 1.09A 5ef3O-5j84A:
undetectable
5ef3P-5j84A:
undetectable		 5ef3O-5j84A:
8.03
5ef3P-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 GLY A  16
ALA A  37
HIS A  49
ILE A  17
ALA A  36
 None
 1.12A 5ef3O-5jn6A:
undetectable
5ef3P-5jn6A:
undetectable		 5ef3O-5jn6A:
24.18
5ef3P-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.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY A 139
ALA A 213
HIS A 136
THR A 206
ALA A 226
 None
 1.20A 5ef3O-5kgnA:
undetectable
5ef3P-5kgnA:
undetectable		 5ef3O-5kgnA:
11.00
5ef3P-5kgnA:
11.00
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 285
ALA A 293
THR A 624
ILE A 283
SER A 817
 FAD  A 901 (-3.3A)
None
None
None
None
 0.96A 5ef3O-5l3dA:
undetectable
5ef3P-5l3dA:
undetectable		 5ef3O-5l3dA:
6.27
5ef3P-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
 1.10A 5ef3O-5lgcA:
undetectable
5ef3P-5lgcA:
undetectable		 5ef3O-5lgcA:
17.89
5ef3P-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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 GLY A 172
ALA A 180
THR A 190
ILE A 175
SER A 186
 None
 1.18A 5ef3O-5o1mA:
undetectable
5ef3P-5o1mA:
undetectable		 5ef3O-5o1mA:
12.64
5ef3P-5o1mA:
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 GLY A  77
HIS A 151
ALA A 158
ILE A  79
ALA A 157
 None
 1.17A 5ef3O-5oe5A:
undetectable
5ef3P-5oe5A:
undetectable		 5ef3O-5oe5A:
11.81
5ef3P-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 GLY A 165
ALA A 103
THR A  21
ILE A 168
ALA A 104
 None
 0.97A 5ef3O-5sy4A:
undetectable
5ef3P-5sy4A:
undetectable		 5ef3O-5sy4A:
17.62
5ef3P-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.
5tpw GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2A

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 GLY B 297
ALA B 302
ILE B 298
SER B 304
ALA B 303
 None
 1.20A 5ef3O-5tpwB:
undetectable
5ef3P-5tpwB:
undetectable		 5ef3O-5tpwB:
13.62
5ef3P-5tpwB:
13.62
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.
5twt PEROXIDASE PVI9

(Panicum
virgatum) 		PF00141
(peroxidase) 		5 GLY A  74
ALA A 102
HIS A  42
ILE A  78
ALA A 103
 SO4  A 304 (-3.5A)
None
None
None
None
 1.19A 5ef3O-5twtA:
undetectable
5ef3P-5twtA:
undetectable		 5ef3O-5twtA:
11.01
5ef3P-5twtA:
11.01
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.
5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Streptomyces
platensis) 		PF13714
(PEP_mutase) 		5 GLY A 102
ALA A 157
HIS A 111
ILE A 126
ALA A 156
 None
 1.18A 5ef3O-5uncA:
undetectable
5ef3P-5uncA:
undetectable		 5ef3O-5uncA:
14.00
5ef3P-5uncA:
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.
5ur2 BIFUNCTIONAL PROTEIN
PUTA

(Bdellovibrio
bacteriovorus) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 GLY A 700
THR A 709
HIS A 706
ILE A 636
ALA A 728
 None
 1.18A 5ef3O-5ur2A:
undetectable
5ef3P-5ur2A:
undetectable		 5ef3O-5ur2A:
6.57
5ef3P-5ur2A:
6.57
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 ALA A 726
THR A 846
ILE A 696
SER A 724
ALA A 725
 None
None
None
SO4  A2003 (-2.4A)
None
 1.21A 5ef3O-5ux5A:
undetectable
5ef3P-5ux5A:
undetectable		 5ef3O-5ux5A:
5.76
5ef3P-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 GLY A 874
ALA A 726
THR A 846
SER A 724
ALA A 725
 None
None
None
SO4  A2003 (-2.4A)
None
 1.20A 5ef3O-5ux5A:
undetectable
5ef3P-5ux5A:
undetectable		 5ef3O-5ux5A:
5.76
5ef3P-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.
5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE

(Vibrio sp. EJY3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 HIS A 306
ALA A 287
HIS A 300
THR A 299
ALA A 286
 None
None
ACY  A 403 (-4.1A)
None
None
 1.21A 5ef3O-5xd7A:
undetectable
5ef3P-5xd7A:
undetectable		 5ef3O-5xd7A:
11.52
5ef3P-5xd7A:
11.52
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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 5 GLY A 147
ALA A 622
HIS A 626
THR A 627
ILE A 148
 SO4  A 706 ( 4.4A)
None
SO4  A 706 (-3.9A)
None
None
 1.15A 5ef3O-5y6rA:
undetectable
5ef3P-5y6rA:
undetectable		 5ef3O-5y6rA:
undetectable
5ef3P-5y6rA:
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.
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
 1.06A 5ef3O-5ygrA:
undetectable
5ef3P-5ygrA:
undetectable		 5ef3O-5ygrA:
undetectable
5ef3P-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 GLY A 134
HIS A 152
THR A 153
ILE A 135
SER A 149
 None
 1.13A 5ef3O-5zlnA:
undetectable
5ef3P-5zlnA:
undetectable		 5ef3O-5zlnA:
undetectable
5ef3P-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.
6geb DOTB

(Legionella
pneumophila) 		no annotation 5 GLY A 150
ALA A 245
THR A 290
ILE A 151
THR A 251
 None
 1.13A 5ef3O-6gebA:
undetectable
5ef3P-6gebA:
undetectable		 5ef3O-6gebA:
undetectable
5ef3P-6gebA:
undetectable