SIMILAR PATTERNS OF AMINO ACIDS FOR 5EF3_F_TRPF101

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
HIS A 114
THR A  35
HIS A  34
 None
 1.12A 5ef3F-1eziA:
undetectable
5ef3G-1eziA:
undetectable		 5ef3F-1eziA:
17.03
5ef3G-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.
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
 1.11A 5ef3F-1eziA:
undetectable
5ef3G-1eziA:
undetectable		 5ef3F-1eziA:
17.03
5ef3G-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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ALA A 123
GLY A 109
ALA A 124
THR A  87
ILE A 107
 None
 1.19A 5ef3F-1fuiA:
undetectable
5ef3G-1fuiA:
0.0		 5ef3F-1fuiA:
8.97
5ef3G-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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.13A 5ef3F-1knrA:
undetectable
5ef3G-1knrA:
0.0		 5ef3F-1knrA:
9.07
5ef3G-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 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
 1.13A 5ef3F-1l5jA:
0.0
5ef3G-1l5jA:
0.0		 5ef3F-1l5jA:
7.07
5ef3G-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 5ef3F-1odiA:
undetectable
5ef3G-1odiA:
undetectable		 5ef3F-1odiA:
14.71
5ef3G-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
 1.10A 5ef3F-1q8fA:
undetectable
5ef3G-1q8fA:
undetectable		 5ef3F-1q8fA:
13.50
5ef3G-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.
1r0l 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Zymomonas
mobilis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 THR A   8
ALA A  90
GLY A  11
ALA A 109
ILE A 101
 None
None
NDP  A 400 (-3.1A)
None
NDP  A 400 (-3.9A)
 1.08A 5ef3F-1r0lA:
undetectable
5ef3G-1r0lA:
undetectable		 5ef3F-1r0lA:
11.76
5ef3G-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 THR A 239
ALA A  54
GLY A  46
ALA A  55
ILE A  68
 None
None
AHZ  A 600 (-3.1A)
None
None
 1.10A 5ef3F-1rp0A:
undetectable
5ef3G-1rp0A:
undetectable		 5ef3F-1rp0A:
14.98
5ef3G-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.
1sch PEANUT PEROXIDASE,
MAJOR CATIONIC
ISOZYME

(Arachis
hypogaea) 		PF00141
(peroxidase) 		5 ALA A 105
GLY A  76
ALA A 104
HIS A  42
ILE A  80
 None
 1.20A 5ef3F-1schA:
undetectable
5ef3G-1schA:
undetectable		 5ef3F-1schA:
15.07
5ef3G-1schA:
15.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9c PRECORRIN-8X METHYL
MUTASE

(Thermus
thermophilus) 		PF02570
(CbiC) 		5 THR A  40
GLY A 188
ALA A 196
THR A  49
THR A 183
 None
 1.16A 5ef3F-1v9cA:
0.0
5ef3G-1v9cA:
undetectable		 5ef3F-1v9cA:
19.25
5ef3G-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.
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
 1.10A 5ef3F-1y6jA:
undetectable
5ef3G-1y6jA:
undetectable		 5ef3F-1y6jA:
15.48
5ef3G-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
 0.97A 5ef3F-1yy5A:
undetectable
5ef3G-1yy5A:
undetectable		 5ef3F-1yy5A:
9.73
5ef3G-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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ALA A  40
GLY A  33
THR A   5
HIS A 131
ILE A   9
 None
 1.19A 5ef3F-2afbA:
undetectable
5ef3G-2afbA:
undetectable		 5ef3F-2afbA:
13.24
5ef3G-2afbA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 5ef3F-2dw4A:
undetectable
5ef3G-2dw4A:
undetectable		 5ef3F-2dw4A:
8.15
5ef3G-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
 0.90A 5ef3F-2dw4A:
undetectable
5ef3G-2dw4A:
undetectable		 5ef3F-2dw4A:
8.15
5ef3G-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 5ef3F-2fffB:
undetectable
5ef3G-2fffB:
undetectable		 5ef3F-2fffB:
11.03
5ef3G-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.
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 5ef3F-2hlpA:
undetectable
5ef3G-2hlpA:
undetectable		 5ef3F-2hlpA:
14.62
5ef3G-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.
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
 1.06A 5ef3F-2nrhA:
undetectable
5ef3G-2nrhA:
undetectable		 5ef3F-2nrhA:
18.14
5ef3G-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 SER G 147
ALA G 146
ALA G 145
HIS G 131
ILE G 121
 None
 1.16A 5ef3F-2nzuG:
undetectable
5ef3G-2nzuG:
undetectable		 5ef3F-2nzuG:
15.10
5ef3G-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 276
ALA A 273
THR A 252
HIS A 199
ILE A 203
 None
 1.07A 5ef3F-2o2cA:
undetectable
5ef3G-2o2cA:
undetectable		 5ef3F-2o2cA:
9.57
5ef3G-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 SER A  94
ALA A  93
GLY A  87
ALA A  92
THR A  60
 None
None
SAM  A 300 (-3.2A)
None
None
 1.18A 5ef3F-2oxtA:
undetectable
5ef3G-2oxtA:
undetectable		 5ef3F-2oxtA:
11.76
5ef3G-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.
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)
 1.11A 5ef3F-2panA:
undetectable
5ef3G-2panA:
undetectable		 5ef3F-2panA:
9.74
5ef3G-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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 ALA A 111
THR A  61
HIS A  62
THR A 124
ILE A 153
 None
None
ZN  A 501 (-3.3A)
None
None
 1.13A 5ef3F-2qt3A:
undetectable
5ef3G-2qt3A:
undetectable		 5ef3F-2qt3A:
14.29
5ef3G-2qt3A:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5ef3F-3aexA:
undetectable
5ef3G-3aexA:
undetectable		 5ef3F-3aexA:
11.36
5ef3G-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.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		5 ALA A 283
ALA A 287
THR A 328
HIS A  36
ILE A 341
 None
 1.19A 5ef3F-3b05A:
undetectable
5ef3G-3b05A:
undetectable		 5ef3F-3b05A:
13.61
5ef3G-3b05A:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 5ef3F-3b9gA:
undetectable
5ef3G-3b9gA:
undetectable		 5ef3F-3b9gA:
13.11
5ef3G-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
 1.15A 5ef3F-3bgaA:
undetectable
5ef3G-3bgaA:
1.6		 5ef3F-3bgaA:
5.55
5ef3G-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
 1.18A 5ef3F-3bywA:
undetectable
5ef3G-3bywA:
undetectable		 5ef3F-3bywA:
22.45
5ef3G-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 SER A 191
ALA A 187
THR A 426
THR A 414
ILE A 184
 None
 0.95A 5ef3F-3cb5A:
undetectable
5ef3G-3cb5A:
undetectable		 5ef3F-3cb5A:
9.95
5ef3G-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 ALA A  42
GLY A 322
ALA A  39
THR A 391
ILE A 321
 None
 1.13A 5ef3F-3cskA:
undetectable
5ef3G-3cskA:
undetectable		 5ef3F-3cskA:
7.05
5ef3G-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.
3dec 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 424
ALA A 426
GLY A 458
HIS A 416
ILE A 413
 None
 1.13A 5ef3F-3decA:
0.0
5ef3G-3decA:
0.0		 5ef3F-3decA:
5.71
5ef3G-3decA:
5.71
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.
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
 0.99A 5ef3F-3fdiA:
undetectable
5ef3G-3fdiA:
undetectable		 5ef3F-3fdiA:
22.44
5ef3G-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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 442
GLY A 174
ALA A 140
THR A 457
ILE A 173
 None
 1.19A 5ef3F-3hpaA:
undetectable
5ef3G-3hpaA:
undetectable		 5ef3F-3hpaA:
10.65
5ef3G-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.
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
 1.06A 5ef3F-3i6dA:
undetectable
5ef3G-3i6dA:
undetectable		 5ef3F-3i6dA:
14.25
5ef3G-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.
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 5ef3F-3jskA:
undetectable
5ef3G-3jskA:
undetectable		 5ef3F-3jskA:
13.37
5ef3G-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
 1.13A 5ef3F-3ktoA:
undetectable
5ef3G-3ktoA:
undetectable		 5ef3F-3ktoA:
18.94
5ef3G-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.
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
 1.00A 5ef3F-3nixA:
undetectable
5ef3G-3nixA:
undetectable		 5ef3F-3nixA:
11.11
5ef3G-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.
3on3 KETO/OXOACID
FERREDOXIN
OXIDOREDUCTASE,
GAMMA SUBUNIT

(Geobacter
sulfurreducens) 		PF01558
(POR) 		5 SER A  29
ALA A  28
GLY A  21
ALA A  27
ILE A  23
 None
 1.00A 5ef3F-3on3A:
undetectable
5ef3G-3on3A:
undetectable		 5ef3F-3on3A:
15.68
5ef3G-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.
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
 1.07A 5ef3F-3ot5A:
undetectable
5ef3G-3ot5A:
undetectable		 5ef3F-3ot5A:
13.22
5ef3G-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.
3qj4 RENALASE

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 SER A 330
ALA A 331
GLY A   8
THR A 160
ILE A   6
 None
None
FAD  A 401 (-3.3A)
None
None
 1.18A 5ef3F-3qj4A:
undetectable
5ef3G-3qj4A:
undetectable		 5ef3F-3qj4A:
12.68
5ef3G-3qj4A:
12.68
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.
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
 1.13A 5ef3F-3swxA:
undetectable
5ef3G-3swxA:
undetectable		 5ef3F-3swxA:
14.72
5ef3G-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
 1.14A 5ef3F-3tm9A:
undetectable
5ef3G-3tm9A:
undetectable		 5ef3F-3tm9A:
22.70
5ef3G-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
 1.10A 5ef3F-3tpcA:
undetectable
5ef3G-3tpcA:
undetectable		 5ef3F-3tpcA:
15.08
5ef3G-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.
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
 1.17A 5ef3F-3w5nA:
2.0
5ef3G-3w5nA:
2.0		 5ef3F-3w5nA:
5.72
5ef3G-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
 1.19A 5ef3F-3wpeA:
undetectable
5ef3G-3wpeA:
undetectable		 5ef3F-3wpeA:
7.17
5ef3G-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  34
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
TRP  A  80 ( 4.9A)
TRP  A  80 (-2.8A)
None
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.25A 5ef3F-3zteA:
14.8
5ef3G-3zteA:
14.6		 5ef3F-3zteA:
78.21
5ef3G-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 ALA A  46
GLY A  23
HIS A  34
THR A  49
HIS A  51
THR A  52
 TRP  A  81 ( 3.7A)
TRP  A  81 (-3.5A)
TRP  A  81 ( 4.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.94A 5ef3F-3zzlA:
13.2
5ef3G-3zzlA:
13.4		 5ef3F-3zzlA:
71.43
5ef3G-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  34
ALA A  46
THR A  49
HIS A  51
THR A  52
 TRP  A  81 (-3.5A)
TRP  A  81 ( 4.7A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.28A 5ef3F-3zzlA:
13.2
5ef3G-3zzlA:
13.4		 5ef3F-3zzlA:
71.43
5ef3G-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) 		5 ALA A  46
GLY A  23
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 ( 2.9A)
TRP  A  81 (-3.8A)
 1.05A 5ef3F-3zzqA:
13.8
5ef3G-3zzqA:
13.9		 5ef3F-3zzqA:
80.00
5ef3G-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) 		6 GLY A  23
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 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 4.4A)
 0.13A 5ef3F-3zzqA:
13.8
5ef3G-3zzqA:
13.9		 5ef3F-3zzqA:
80.00
5ef3G-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) 		6 ALA A  46
GLY A  23
HIS A  34
THR A  49
HIS A  51
THR A  52
 TRP  A1072 ( 3.8A)
TRP  A1072 (-3.5A)
TRP  A1072 ( 4.7A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
 1.07A 5ef3F-3zzsA:
13.7
5ef3G-3zzsA:
13.8		 5ef3F-3zzsA:
100.00
5ef3G-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) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
TRP  A1072 ( 4.7A)
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.15A 5ef3F-3zzsA:
13.7
5ef3G-3zzsA:
13.8		 5ef3F-3zzsA:
100.00
5ef3G-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) 		6 ALA A  46
GLY A  23
HIS A  34
THR A  49
HIS A  51
THR A  52
 ALA  A  46 ( 0.0A)
GLY  A  23 (-0.0A)
HIS  A  34 ( 1.0A)
THR  A  49 (-0.8A)
HIS  A  51 ( 1.0A)
THR  A  52 (-0.8A)
 1.12A 5ef3F-4b27A:
13.3
5ef3G-4b27A:
13.4		 5ef3F-4b27A:
76.32
5ef3G-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) 		7 GLY A  23
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  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)
 0.23A 5ef3F-4b27A:
13.3
5ef3G-4b27A:
13.4		 5ef3F-4b27A:
76.32
5ef3G-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 SER A 504
ALA A 500
THR A 572
THR A 545
ILE A 547
 None
 1.11A 5ef3F-4bx9A:
undetectable
5ef3G-4bx9A:
undetectable		 5ef3F-4bx9A:
7.91
5ef3G-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 THR A 271
ALA A 388
GLY A 276
THR A 266
ILE A 279
 None
 1.08A 5ef3F-4ctaA:
undetectable
5ef3G-4ctaA:
undetectable		 5ef3F-4ctaA:
12.96
5ef3G-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.
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
 1.16A 5ef3F-4ebjA:
undetectable
5ef3G-4ebjA:
undetectable		 5ef3F-4ebjA:
14.71
5ef3G-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.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ALA A 334
ALA A 331
THR A 327
HIS A 326
ILE A 410
 None
None
None
SO4  A 603 (-3.7A)
None
 1.13A 5ef3F-4ga6A:
undetectable
5ef3G-4ga6A:
undetectable		 5ef3F-4ga6A:
13.33
5ef3G-4ga6A:
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.
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
 1.12A 5ef3F-4gvlA:
undetectable
5ef3G-4gvlA:
undetectable		 5ef3F-4gvlA:
10.47
5ef3G-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
 1.08A 5ef3F-4gvlA:
undetectable
5ef3G-4gvlA:
undetectable		 5ef3F-4gvlA:
10.47
5ef3G-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
 1.11A 5ef3F-4gx0A:
undetectable
5ef3G-4gx0A:
undetectable		 5ef3F-4gx0A:
8.70
5ef3G-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
 1.16A 5ef3F-4gx0A:
undetectable
5ef3G-4gx0A:
undetectable		 5ef3F-4gx0A:
8.70
5ef3G-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.
4h6x THIAZOLINE
OXIDASE/SUBTILISIN-L
IKE PROTEASE

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		5 ALA A 786
HIS A 618
ALA A 785
THR A 625
ILE A 766
 None
 1.10A 5ef3F-4h6xA:
undetectable
5ef3G-4h6xA:
undetectable		 5ef3F-4h6xA:
13.06
5ef3G-4h6xA:
13.06
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.
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
 0.94A 5ef3F-4hsuA:
undetectable
5ef3G-4hsuA:
undetectable		 5ef3F-4hsuA:
7.64
5ef3G-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
 1.12A 5ef3F-4i4nA:
undetectable
5ef3G-4i4nA:
undetectable		 5ef3F-4i4nA:
12.10
5ef3G-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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 GLY E 470
HIS E 472
THR E 481
THR E 480
ILE E 469
 None
 1.18A 5ef3F-4kprE:
undetectable
5ef3G-4kprE:
undetectable		 5ef3F-4kprE:
9.64
5ef3G-4kprE:
9.64
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.
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
 0.93A 5ef3F-4lx4A:
undetectable
5ef3G-4lx4A:
undetectable		 5ef3F-4lx4A:
13.42
5ef3G-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
 1.10A 5ef3F-4lz6A:
undetectable
5ef3G-4lz6A:
undetectable		 5ef3F-4lz6A:
11.37
5ef3G-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.
4ov4 2-ISOPROPYLMALATE
SYNTHASE

(Leptospira
biflexa) 		PF00682
(HMGL-like) 		5 SER A 219
GLY A 213
ALA A 217
THR A 244
HIS A 209
 None
None
None
None
ZN  A 401 ( 3.4A)
 1.11A 5ef3F-4ov4A:
undetectable
5ef3G-4ov4A:
undetectable		 5ef3F-4ov4A:
11.11
5ef3G-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.
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
 1.12A 5ef3F-4qgsA:
undetectable
5ef3G-4qgsA:
undetectable		 5ef3F-4qgsA:
11.89
5ef3G-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
 1.11A 5ef3F-4qn8A:
undetectable
5ef3G-4qn8A:
undetectable		 5ef3F-4qn8A:
18.12
5ef3G-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)
 1.04A 5ef3F-4umvA:
undetectable
5ef3G-4umvA:
undetectable		 5ef3F-4umvA:
7.07
5ef3G-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.
4usc PEROXIDASE

(Trachycarpus
fortunei) 		PF00141
(peroxidase) 		5 ALA A 105
GLY A  76
ALA A 104
HIS A  42
ILE A  80
 None
SO4  A1316 (-3.9A)
None
PEO  A1320 (-3.6A)
None
 1.18A 5ef3F-4uscA:
undetectable
5ef3G-4uscA:
undetectable		 5ef3F-4uscA:
13.01
5ef3G-4uscA:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 5ef3F-4yhsA:
undetectable
5ef3G-4yhsA:
undetectable		 5ef3F-4yhsA:
14.02
5ef3G-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
 1.03A 5ef3F-4ztbA:
undetectable
5ef3G-4ztbA:
undetectable		 5ef3F-4ztbA:
14.60
5ef3G-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.
5ay9 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Ruminococcus
albus) 		PF04041
(Glyco_hydro_130) 		5 ALA A  74
GLY A 255
ALA A 325
THR A 322
ILE A 268
 None
 1.19A 5ef3F-5ay9A:
undetectable
5ef3G-5ay9A:
undetectable		 5ef3F-5ay9A:
12.60
5ef3G-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.
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
 1.07A 5ef3F-5dgqA:
undetectable
5ef3G-5dgqA:
undetectable		 5ef3F-5dgqA:
8.27
5ef3G-5dgqA:
8.27
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 ALA A  46
GLY A  23
HIS A  34
THR A  49
HIS A  51
THR A  52
 None
 1.09A 5ef3F-5eexA:
15.4
5ef3G-5eexA:
16.0		 5ef3F-5eexA:
100.00
5ef3G-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) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 None
 0.13A 5ef3F-5eexA:
15.4
5ef3G-5eexA:
16.0		 5ef3F-5eexA:
100.00
5ef3G-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
 1.02A 5ef3F-5esoA:
undetectable
5ef3G-5esoA:
undetectable		 5ef3F-5esoA:
7.88
5ef3G-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.
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
 1.02A 5ef3F-5gggA:
2.4
5ef3G-5gggA:
undetectable		 5ef3F-5gggA:
8.92
5ef3G-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
 1.06A 5ef3F-5ggkA:
1.4
5ef3G-5ggkA:
undetectable		 5ef3F-5ggkA:
23.23
5ef3G-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
 1.13A 5ef3F-5hpnA:
undetectable
5ef3G-5hpnA:
undetectable		 5ef3F-5hpnA:
23.16
5ef3G-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
 1.09A 5ef3F-5j84A:
undetectable
5ef3G-5j84A:
undetectable		 5ef3F-5j84A:
8.03
5ef3G-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
 1.17A 5ef3F-5jn6A:
undetectable
5ef3G-5jn6A:
undetectable		 5ef3F-5jn6A:
24.18
5ef3G-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 THR A 206
ALA A 226
GLY A 139
ALA A 213
HIS A 136
 None
 1.19A 5ef3F-5kgnA:
undetectable
5ef3G-5kgnA:
undetectable		 5ef3F-5kgnA:
11.00
5ef3G-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.
5ks1 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Vibrio
vulnificus) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 THR A 283
ALA A 123
ALA A 100
THR A  17
ILE A   6
 None
 1.19A 5ef3F-5ks1A:
undetectable
5ef3G-5ks1A:
undetectable		 5ef3F-5ks1A:
9.95
5ef3G-5ks1A:
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.
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
 1.09A 5ef3F-5l3dA:
undetectable
5ef3G-5l3dA:
undetectable		 5ef3F-5l3dA:
6.27
5ef3G-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 5ef3F-5l3dA:
undetectable
5ef3G-5l3dA:
undetectable		 5ef3F-5l3dA:
6.27
5ef3G-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
 1.06A 5ef3F-5lgcA:
undetectable
5ef3G-5lgcA:
undetectable		 5ef3F-5lgcA:
17.89
5ef3G-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 SER A 186
GLY A 172
ALA A 180
THR A 190
ILE A 175
 None
 1.15A 5ef3F-5o1mA:
undetectable
5ef3G-5o1mA:
undetectable		 5ef3F-5o1mA:
12.64
5ef3G-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.
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
 0.96A 5ef3F-5sy4A:
undetectable
5ef3G-5sy4A:
undetectable		 5ef3F-5sy4A:
17.62
5ef3G-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.
5twt PEROXIDASE PVI9

(Panicum
virgatum) 		PF00141
(peroxidase) 		5 ALA A 103
GLY A  74
ALA A 102
HIS A  42
ILE A  78
 None
SO4  A 304 (-3.5A)
None
None
None
 1.16A 5ef3F-5twtA:
undetectable
5ef3G-5twtA:
undetectable		 5ef3F-5twtA:
11.01
5ef3G-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.
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
 1.19A 5ef3F-5ux5A:
undetectable
5ef3G-5ux5A:
undetectable		 5ef3F-5ux5A:
5.76
5ef3G-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
 1.19A 5ef3F-5ux5A:
undetectable
5ef3G-5ux5A:
undetectable		 5ef3F-5ux5A:
5.76
5ef3G-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
 1.18A 5ef3F-5w0sA:
undetectable
5ef3G-5w0sA:
undetectable		 5ef3F-5w0sA:
10.23
5ef3G-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.
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
 1.19A 5ef3F-5y6rA:
undetectable
5ef3G-5y6rA:
undetectable		 5ef3F-5y6rA:
undetectable
5ef3G-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
 1.01A 5ef3F-5ygrA:
undetectable
5ef3G-5ygrA:
undetectable		 5ef3F-5ygrA:
undetectable
5ef3G-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
 1.14A 5ef3F-5zlnA:
undetectable
5ef3G-5zlnA:
undetectable		 5ef3F-5zlnA:
undetectable
5ef3G-5zlnA:
undetectable