SIMILAR PATTERNS OF AMINO ACIDS FOR 3T7S_A_SAMA300_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cij PROTEIN (HALOALKANE
DEHALOGENASE)

(Xanthobacter
autotrophicus) 		PF00561
(Abhydrolase_1) 		5 GLY A 257
GLY A 264
ASP A 260
PHE A 290
GLU A 283
 None
 1.34A 3t7sA-1cijA:
undetectable		 3t7sA-1cijA:
23.05
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.
1et9 SUPERANTIGEN SPE-H

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		5 GLN A 128
GLY A  89
PHE A  51
SER A  49
GLU A  23
 None
 1.17A 3t7sA-1et9A:
undetectable		 3t7sA-1et9A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1euf DUODENASE

(Bos taurus) 		PF00089
(Trypsin) 		5 ARG A  27
GLY A 140
ASP A 194
PHE A 191
ASN A 189
 None
 1.33A 3t7sA-1eufA:
undetectable		 3t7sA-1eufA:
20.96
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.
1iq0 ARGINYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 GLY A 153
ASP A 150
SER A 241
GLU A 158
ALA A 156
 None
 1.25A 3t7sA-1iq0A:
undetectable		 3t7sA-1iq0A:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1la2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 GLY A  72
GLY A  74
ASP A 148
ALA A 245
ASN A 246
 NAD  A 900 (-3.3A)
NAD  A 900 (-4.0A)
NAD  A 900 (-3.0A)
NAD  A 900 (-3.5A)
NAD  A 900 (-3.8A)
 1.32A 3t7sA-1la2A:
undetectable		 3t7sA-1la2A:
19.96
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.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  37
GLY A  40
GLU A 118
ALA A  43
ASN A  50
 None
 1.33A 3t7sA-1lpfA:
2.2		 3t7sA-1lpfA:
21.76
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLN A 252
GLY A 251
ASP A 247
GLU A 236
ALA A 245
 None
 1.27A 3t7sA-1lvlA:
3.0		 3t7sA-1lvlA:
19.65
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.
1m32 2-AMINOETHYLPHOSPHON
ATE-PYRUVATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00266
(Aminotran_5) 		5 GLY A  65
GLY A  63
MET A 169
GLU A  70
ALA A  68
 PLP  A4401 (-3.6A)
None
PLP  A4401 (-4.6A)
None
None
 1.25A 3t7sA-1m32A:
3.5		 3t7sA-1m32A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mhs PLASMA MEMBRANE
ATPASE

(Neurospora
crassa) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 GLY A 587
GLY A 585
PHE A 607
GLU A 582
ALA A 603
 None
 0.85A 3t7sA-1mhsA:
undetectable		 3t7sA-1mhsA:
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.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 GLY A  79
GLY A  81
GLN A  86
ASP A 101
PHE A 102
 SAH  A2002 (-4.0A)
SAH  A2002 (-3.0A)
SAH  A2002 ( 4.2A)
SAH  A2002 (-3.1A)
SAH  A2002 (-4.4A)
 0.54A 3t7sA-1n7jA:
14.0		 3t7sA-1n7jA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		5 GLY K  35
GLY K 212
SER K 198
GLU K  32
ALA K 208
 None
 0.78A 3t7sA-1oxxK:
undetectable		 3t7sA-1oxxK:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		5 ARG A 177
GLY A  75
MET A 106
GLU A  82
ALA A 162
 None
 1.34A 3t7sA-1s6rA:
undetectable		 3t7sA-1s6rA:
20.70
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.
1t90 PROBABLE
METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00171
(Aldedh) 		5 GLY A 432
PHE A 408
SER A 406
ALA A 412
ASN A 255
 None
 1.30A 3t7sA-1t90A:
3.7		 3t7sA-1t90A:
19.06
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.
1uaq CYTOSINE DEAMINASE

(Saccharomyces
cerevisiae) 		PF00383
(dCMP_cyt_deam_1) 		5 ARG A  48
GLY A  34
PHE A 144
GLU A  20
ALA A  23
 None
 1.18A 3t7sA-1uaqA:
undetectable		 3t7sA-1uaqA:
21.54
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.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 GLY A  71
GLY A  73
ASP A 148
ALA A 237
ASN A 238
 NAD  A 601 (-3.2A)
NAD  A 601 (-4.3A)
NAD  A 601 (-2.7A)
NAD  A 601 (-3.3A)
NAD  A 601 (-3.5A)
 1.23A 3t7sA-1vkoA:
2.1		 3t7sA-1vkoA:
20.45
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.
1w3b UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110

(Homo sapiens) 		PF00515
(TPR_1)
PF13181
(TPR_8)
PF13414
(TPR_11)
PF13424
(TPR_12) 		5 GLY A  46
GLN A  74
SER A  64
ALA A  81
ASN A  84
 None
 1.20A 3t7sA-1w3bA:
undetectable		 3t7sA-1w3bA:
21.86
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.
1wl7 ARABINANASE-TS

(Geobacillus
thermodenitrificans) 		PF04616
(Glyco_hydro_43) 		5 GLY A 268
GLY A 262
SER A 217
ALA A 287
ASN A 285
 None
 1.16A 3t7sA-1wl7A:
undetectable		 3t7sA-1wl7A:
22.56
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.
1xkw FE(III)-PYOCHELIN
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ARG A 363
GLN A 326
PHE A 131
GLU A 392
ASN A 142
 None
 1.22A 3t7sA-1xkwA:
undetectable		 3t7sA-1xkwA:
17.07
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.
1xvi PUTATIVE
MANNOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		5 GLN A 171
GLY A  73
GLY A 187
SER A  47
ALA A  74
 None
 1.23A 3t7sA-1xviA:
undetectable		 3t7sA-1xviA:
18.89
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.
1yzf LIPASE/ACYLHYDROLASE

(Enterococcus
faecalis) 		PF13472
(Lipase_GDSL_2) 		5 ARG A  92
GLY A 139
GLU A 137
ALA A 140
ASN A 143
 None
 1.24A 3t7sA-1yzfA:
3.0		 3t7sA-1yzfA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		6 GLY A  63
GLY A  65
GLN A  70
ASP A  85
PHE A  86
ALA A 165
 SAH  A4001 (-3.9A)
SAH  A4001 (-3.0A)
SAH  A4001 ( 4.4A)
SAH  A4001 (-2.7A)
SAH  A4001 (-4.6A)
SAH  A4001 (-3.4A)
 0.62A 3t7sA-2a14A:
14.5		 3t7sA-2a14A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bod ENDOGLUCANASE E-2

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 GLY X 104
GLY X  52
ASP X  55
GLU X 100
ALA X 103
 None
 1.28A 3t7sA-2bodX:
undetectable		 3t7sA-2bodX:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 387
GLY A 336
ASP A 334
GLU A 339
ALA A 341
 None
 1.20A 3t7sA-2cb1A:
2.0		 3t7sA-2cb1A:
20.19
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.
2gfq UPF0204 PROTEIN
PH0006

(Pyrococcus
horikoshii) 		PF04414
(tRNA_deacylase) 		5 ARG A 253
GLY A 197
GLY A 251
GLN A 224
ASP A 248
 None
 1.13A 3t7sA-2gfqA:
undetectable		 3t7sA-2gfqA:
24.31
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 173
GLY A 349
SER A 110
GLU A 355
ALA A 174
 None
 1.13A 3t7sA-2gp6A:
undetectable		 3t7sA-2gp6A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ior CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF02518
(HATPase_c) 		5 ARG A 142
GLY A  82
GLY A  84
SER A  40
GLU A  58
 None
None
ADP  A1000 ( 4.4A)
None
None
 1.21A 3t7sA-2iorA:
undetectable		 3t7sA-2iorA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 212
GLY A 392
SER A 149
GLU A 398
ALA A 213
 None
6NA  A1462 ( 4.3A)
None
K  A1463 (-3.7A)
None
 1.23A 3t7sA-2ix4A:
undetectable		 3t7sA-2ix4A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		5 ARG A 470
GLN A 444
GLY A 437
PHE A 373
GLU A 529
 None
 1.08A 3t7sA-2nlzA:
undetectable		 3t7sA-2nlzA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x27 OUTER MEMBRANE
PROTEIN OPRG

(Pseudomonas
aeruginosa) 		PF03922
(OmpW) 		5 GLN X 100
GLY X 154
GLY X 115
ALA X 168
ASN X 166
 None
None
C8E  X1227 (-3.5A)
None
None
 1.11A 3t7sA-2x27X:
undetectable		 3t7sA-2x27X:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y4l MANNOSYLGLYCERATE
SYNTHASE

(Rhodothermus
marinus) 		no annotation 5 GLN A 247
GLY A 203
GLY A 246
GLU A 155
ALA A 249
 None
 1.10A 3t7sA-2y4lA:
2.9		 3t7sA-2y4lA:
20.31
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.
3au0 CLUMPING FACTOR B

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		5 GLY A 404
GLY A 479
ASP A 480
GLU A 507
ASN A 514
 None
 0.93A 3t7sA-3au0A:
undetectable		 3t7sA-3au0A:
22.80
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.
3c9r THIAMINE
MONOPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00586
(AIRS) 		5 GLY A 158
GLY A 259
ASP A 261
GLU A 253
ALA A 255
 None
 1.32A 3t7sA-3c9rA:
undetectable		 3t7sA-3c9rA:
21.45
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.
3cky 2-HYDROXYMETHYL
GLUTARATE
DEHYDROGENASE

(Eubacterium
barkeri) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A 168
GLY A 141
ASP A 121
SER A 104
ALA A 172
 None
 1.29A 3t7sA-3ckyA:
4.3		 3t7sA-3ckyA:
20.19
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.
3d31 SULFATE/MOLYBDATE
ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Methanosarcina
acetivorans) 		PF00005
(ABC_tran)
PF03459
(TOBE) 		5 ARG A 348
GLY A 244
GLY A 259
GLU A 262
ALA A 241
 None
 1.22A 3t7sA-3d31A:
undetectable		 3t7sA-3d31A:
22.89
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.
3d4u CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		5 ARG A 210
ASP A 256
SER A 254
GLU A 154
ALA A 250
 None
 1.27A 3t7sA-3d4uA:
undetectable		 3t7sA-3d4uA:
19.50
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		5 ARG A 263
GLY A 290
GLY A 292
ASP A 311
SER A 329
 None
 1.17A 3t7sA-3dliA:
14.9		 3t7sA-3dliA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		5 ARG A  35
GLY A  59
GLY A  61
ASP A  80
ALA A 124
 SAH  A 300 (-2.9A)
SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
SAH  A 300 (-2.7A)
SAH  A 300 ( 4.2A)
 1.02A 3t7sA-3e8sA:
14.6		 3t7sA-3e8sA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3err FUSION PROTEIN OF
MICROTUBULE BINDING
DOMAIN FROM MOUSE
CYTOPLASMIC DYNEIN
AND SERYL-TRNA
SYNTHETASE FROM
THERMUS THERMOPHILUS

(Thermus
thermophilus;
Mus musculus) 		PF00587
(tRNA-synt_2b)
PF12777
(MT) 		5 GLN A 330
GLY A 321
GLY A 324
ALA A 319
ASN A 117
 None
 1.12A 3t7sA-3errA:
undetectable		 3t7sA-3errA:
17.47
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.
3err FUSION PROTEIN OF
MICROTUBULE BINDING
DOMAIN FROM MOUSE
CYTOPLASMIC DYNEIN
AND SERYL-TRNA
SYNTHETASE FROM
THERMUS THERMOPHILUS

(Thermus
thermophilus;
Mus musculus) 		PF00587
(tRNA-synt_2b)
PF12777
(MT) 		5 GLY A 321
GLY A 324
GLU A  20
ALA A 319
ASN A 117
 None
 1.21A 3t7sA-3errA:
undetectable		 3t7sA-3errA:
17.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		5 GLY A  54
GLN A  60
MET A 105
GLU A 121
ASN A 126
 None
 1.28A 3t7sA-3f4kA:
36.3		 3t7sA-3f4kA:
57.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		6 GLY A  54
GLY A  56
GLN A  60
ASP A  76
MET A 105
GLU A 121
 None
 0.34A 3t7sA-3f4kA:
36.3		 3t7sA-3f4kA:
57.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		6 GLY A  54
GLY A  56
GLN A  60
ASP A  76
SER A 104
GLU A 121
 None
 0.82A 3t7sA-3f4kA:
36.3		 3t7sA-3f4kA:
57.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		5 GLN A 195
GLY A 234
GLY A 165
PHE A 232
SER A 255
 None
PGE  A 404 ( 4.5A)
PGE  A 404 ( 4.1A)
None
None
 1.28A 3t7sA-3fnbA:
2.6		 3t7sA-3fnbA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
ASP A  68
SER A  97
GLU A 121
 SAH  A 308 (-3.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-2.6A)
SAH  A 308 (-3.7A)
T8N  A 309 ( 4.4A)
 1.27A 3t7sA-3g5tA:
15.1		 3t7sA-3g5tA:
23.10
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 224
GLN A 171
ASP A 188
GLU A 226
ALA A 228
 None
 0.83A 3t7sA-3gveA:
undetectable		 3t7sA-3gveA:
20.73
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.
3j0h PHIKZ029

(Pseudomonas
virus phiKZ) 		no annotation 5 GLY A 378
SER A 195
GLU A 159
ALA A 375
ASN A 204
 None
 1.13A 3t7sA-3j0hA:
undetectable		 3t7sA-3j0hA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kdj PROTEIN PHOSPHATASE
2C 56

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 GLN B 183
GLY B 178
GLY B 181
SER B 314
ALA B 185
 None
 1.30A 3t7sA-3kdjB:
undetectable		 3t7sA-3kdjB:
21.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkz UNCHARACTERIZED
PROTEIN Q5LES9

(Bacteroides
fragilis) 		PF13649
(Methyltransf_25) 		11 ARG A  25
GLY A  54
GLY A  56
GLN A  60
ASP A  76
PHE A  77
SER A 104
MET A 105
GLU A 121
ALA A 123
ASN A 126
 SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
SAM  A 301 (-2.8A)
None
SAM  A 301 (-3.1A)
SAM  A 301 (-4.5A)
None
SAM  A 301 ( 3.7A)
SAM  A 301 (-3.0A)
 0.39A 3t7sA-3kkzA:
39.9		 3t7sA-3kkzA:
69.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkz UNCHARACTERIZED
PROTEIN Q5LES9

(Bacteroides
fragilis) 		PF13649
(Methyltransf_25) 		5 GLN A  26
GLY A  54
GLY A  56
ASP A  76
ALA A 123
 SAM  A 301 (-4.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.8A)
SAM  A 301 ( 3.7A)
 1.23A 3t7sA-3kkzA:
39.9		 3t7sA-3kkzA:
69.03
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.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY

(Clostridium
acetobutylicum) 		PF13419
(HAD_2) 		5 GLY A 182
GLY A 164
GLU A 192
ALA A 198
ASN A 199
 None
 0.97A 3t7sA-3mc1A:
undetectable		 3t7sA-3mc1A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oce FUMARATE LYASE:DELTA
CRYSTALLIN

(Brucella
abortus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ARG A  12
GLN A  23
GLY A  21
GLU A  29
ALA A  27
 None
 1.23A 3t7sA-3oceA:
undetectable		 3t7sA-3oceA:
19.54
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.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF01077
(NIR_SIR) 		5 GLY A 220
GLY A 238
PHE A 218
SER A 176
ALA A 186
 SF4  A 802 (-3.2A)
None
None
None
SF4  A 802 (-3.6A)
 1.29A 3t7sA-3or2A:
undetectable		 3t7sA-3or2A:
18.99
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.
3osl CARBOXYPEPTIDASE B2

(Bos taurus) 		PF00246
(Peptidase_M14) 		5 ARG A 324
ASP A 371
SER A 369
GLU A 267
ALA A 365
 None
 1.27A 3t7sA-3oslA:
undetectable		 3t7sA-3oslA:
21.37
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.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLN A 230
GLY A 530
ASP A 288
GLU A 227
ALA A 388
 None
 1.23A 3t7sA-3p4sA:
2.1		 3t7sA-3p4sA:
18.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t7s PUTATIVE
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF13649
(Methyltransf_25) 		12 ARG A  25
GLN A  26
GLY A  54
GLY A  56
GLN A  60
ASP A  76
PHE A  77
SER A 104
MET A 105
GLU A 121
ALA A 123
ASN A 126
 SAM  A 300 (-4.0A)
SAM  A 300 (-3.5A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.4A)
SAM  A 300 (-3.4A)
SAM  A 300 (-2.8A)
SAM  A 300 (-4.7A)
SAM  A 300 (-2.8A)
SAM  A 300 (-4.1A)
None
SAM  A 300 (-3.6A)
SAM  A 300 (-3.1A)
 0.00A 3t7sA-3t7sA:
45.7		 3t7sA-3t7sA:
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.
3t8q MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Hoeflea
phototrophica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLN A 256
GLN A 236
ASP A 183
SER A 118
MET A 119
 None
None
MG  A 369 (-2.7A)
None
None
 1.31A 3t7sA-3t8qA:
undetectable		 3t7sA-3t8qA:
19.60
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.
3t9p MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLN A 278
GLN A 258
ASP A 205
SER A 140
MET A 141
 None
 1.31A 3t7sA-3t9pA:
undetectable		 3t7sA-3t9pA:
22.06
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.
3tcs RACEMASE, PUTATIVE

(Roseobacter
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLN A 256
GLN A 236
ASP A 183
SER A 118
MET A 119
 None
None
MG  A 368 ( 2.7A)
None
DAL  A 370 (-3.5A)
 1.27A 3t7sA-3tcsA:
undetectable		 3t7sA-3tcsA:
20.31
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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ARG A 220
GLY A 191
SER A 144
GLU A 226
ALA A 249
 None
NAP  A 601 (-3.5A)
None
None
None
 1.09A 3t7sA-3toxA:
6.7		 3t7sA-3toxA:
22.80
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.
3u4f MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLN A 256
GLN A 236
ASP A 183
SER A 118
MET A 119
 None
None
MG  A 371 ( 2.6A)
None
GAI  A 372 ( 3.7A)
 1.29A 3t7sA-3u4fA:
undetectable		 3t7sA-3u4fA:
20.15
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.
3uaq LBPB B-LOBE

(Moraxella bovis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		5 GLY A 213
GLY A 211
ASP A 214
PHE A 200
ALA A 218
 None
 1.21A 3t7sA-3uaqA:
undetectable		 3t7sA-3uaqA:
21.07
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.
3ujk PROTEIN PHOSPHATASE
2C 77

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 GLN A 171
GLY A 166
GLY A 169
SER A 304
ALA A 173
 None
MG  A 426 (-4.2A)
None
None
None
 1.30A 3t7sA-3ujkA:
undetectable		 3t7sA-3ujkA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vov GLUCOKINASE

(Thermus
thermophilus) 		PF00480
(ROK) 		5 ARG A 100
GLY A   5
GLY A  62
GLU A  51
ALA A  15
 None
 1.26A 3t7sA-3vovA:
undetectable		 3t7sA-3vovA:
22.12
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.
3zxo REDOX SENSOR
HISTIDINE KINASE
RESPONSE REGULATOR
DEVS

(Mycobacterium
tuberculosis) 		PF02518
(HATPase_c) 		5 GLN A 492
GLY A 555
GLN A 578
PHE A 557
ALA A 574
 None
 1.02A 3t7sA-3zxoA:
undetectable		 3t7sA-3zxoA:
19.92
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.
4bkw ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 9

(Homo sapiens) 		PF11979
(DUF3480) 		5 ARG A1095
GLY A1031
GLN A1060
SER A1021
GLU A1063
 None
 0.87A 3t7sA-4bkwA:
undetectable		 3t7sA-4bkwA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hcj THIJ/PFPI DOMAIN
PROTEIN

(Brachyspira
murdochii) 		PF01965
(DJ-1_PfpI) 		5 GLY A  74
GLY A 105
PHE A  72
MET A  11
GLU A  19
 None
 1.30A 3t7sA-4hcjA:
2.5		 3t7sA-4hcjA:
20.52
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.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		5 ARG A 103
GLY A 335
GLY A 106
SER A 321
GLU A 299
 None
 1.19A 3t7sA-4hxyA:
6.3		 3t7sA-4hxyA:
17.36
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 ARG A 358
GLY A 318
GLN A 335
SER A 323
ALA A 319
 None
None
None
None
BGC  A 801 ( 3.7A)
 1.28A 3t7sA-4ktpA:
undetectable		 3t7sA-4ktpA:
16.86
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		5 ARG A  85
GLY A 100
GLY A  89
ALA A 211
ASN A 207
 None
 0.83A 3t7sA-4kvlA:
undetectable		 3t7sA-4kvlA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mg3 PROTEASE 2A

(Enterovirus A) 		PF00947
(Pico_P2A) 		5 ARG A 115
GLY A   8
GLY A 112
GLN A   6
ALA A   9
 None
 1.23A 3t7sA-4mg3A:
undetectable		 3t7sA-4mg3A:
17.39
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.
4ozq CHIMERA OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND KINESIN FAMILY
MEMBER 14 PROTEIN

(Escherichia
coli;
Mus musculus) 		PF00225
(Kinesin)
PF13416
(SBP_bac_8) 		5 GLN A 678
GLY A 702
GLU A 390
ALA A   0
ASN A  -3
 None
 1.33A 3t7sA-4ozqA:
undetectable		 3t7sA-4ozqA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		5 GLY A 172
GLY A 194
PHE A 191
ALA A 147
ASN A 170
 None
 1.30A 3t7sA-4phbA:
undetectable		 3t7sA-4phbA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmd ENDO-1,4-BETA-XYLANA
SE

(Caldicellulosiruptor
bescii) 		PF00331
(Glyco_hydro_10) 		5 GLN A 215
ASP A 135
PHE A 180
SER A 133
GLU A  50
 BXP  A 401 (-2.7A)
None
None
None
BXP  A 401 (-3.6A)
 1.17A 3t7sA-4pmdA:
undetectable		 3t7sA-4pmdA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 GLY B  55
GLY B  57
ASP B  77
MET B 100
ALA B 119
 SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 (-2.6A)
SAM  B 301 (-4.2A)
SAM  B 301 (-3.5A)
 0.45A 3t7sA-4qtuB:
15.8		 3t7sA-4qtuB:
22.06
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.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 234
GLY A 232
ASP A 233
GLU A 349
ALA A 344
 None
 1.18A 3t7sA-4r8eA:
undetectable		 3t7sA-4r8eA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wh3 N-ACETYLHEXOSAMINE
1-KINASE

(Bifidobacterium
longum) 		PF01636
(APH) 		5 ARG A 246
GLN A 333
SER A 260
GLU A 254
ALA A 252
 GOL  A 406 (-4.0A)
None
None
None
None
 1.07A 3t7sA-4wh3A:
undetectable		 3t7sA-4wh3A:
23.97
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 GLY A 220
PHE A  89
SER A  91
GLU A 224
ALA A 222
 None
 1.27A 3t7sA-4wn9A:
undetectable		 3t7sA-4wn9A:
20.65
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 ARG A 161
GLY A 267
GLY A 159
GLU A 212
ASN A 265
 None
 1.21A 3t7sA-4xmvA:
undetectable		 3t7sA-4xmvA:
14.48
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A 184
GLN A 207
PHE A 157
GLU A 194
ALA A 192
 None
 1.31A 3t7sA-4xr9A:
4.6		 3t7sA-4xr9A:
22.37
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.
4z19 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Yersinia pestis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A   9
ASP A 284
PHE A 283
GLU A  60
ALA A  62
 None
 1.22A 3t7sA-4z19A:
undetectable		 3t7sA-4z19A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		5 GLY A 708
GLN A 740
MET A 716
ALA A 735
ASN A 713
 None
 1.31A 3t7sA-4zhjA:
4.1		 3t7sA-4zhjA:
11.87
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.
5eeb ALDEHYDE
DEHYDROGENASE

(Pyrobaculum
ferrireducens) 		PF00171
(Aldedh) 		5 GLY A 450
GLY A 456
SER A 411
MET A 433
GLU A 468
 None
 1.19A 3t7sA-5eebA:
4.1		 3t7sA-5eebA:
18.18
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.
5gyy S-RECEPTOR KINASE
SRK9

(Brassica rapa) 		PF00954
(S_locus_glycop)
PF01453
(B_lectin)
PF08276
(PAN_2) 		5 ARG A 363
GLY A 368
GLY A 366
PHE A 357
ALA A 360
 None
 1.26A 3t7sA-5gyyA:
undetectable		 3t7sA-5gyyA:
19.27
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.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 GLY A 539
GLY A 366
GLN A 352
SER A 541
ALA A 349
 None
 1.26A 3t7sA-5ho9A:
undetectable		 3t7sA-5ho9A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l2r FUMARATE HYDRATASE

(Leishmania
major) 		PF05681
(Fumerase)
PF05683
(Fumerase_C) 		5 GLY A 214
GLY A 137
ASP A 135
ALA A 218
ASN A 219
 SF4  A 608 (-3.4A)
None
LMR  A 601 ( 3.6A)
None
LMR  A 602 (-4.5A)
 0.93A 3t7sA-5l2rA:
undetectable		 3t7sA-5l2rA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		5 ARG A 476
GLY A 480
GLY A 582
SER A 418
ALA A 435
 None
 1.24A 3t7sA-5l9wA:
undetectable		 3t7sA-5l9wA:
17.64
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.
5lxe F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE 1

(Rhodococcus
jostii) 		PF00296
(Bac_luciferase) 		5 GLY A  23
PHE A  14
SER A  10
GLU A  27
ALA A  26
 None
 1.19A 3t7sA-5lxeA:
undetectable		 3t7sA-5lxeA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nux CHROMATE REDUCTASE

(Thermus
scotoductus) 		no annotation 5 GLY A 105
GLY A 126
PHE A 132
GLU A  62
ALA A 108
 None
 1.31A 3t7sA-5nuxA:
undetectable		 3t7sA-5nuxA:
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.
5ols RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 216
GLY A 218
SER A 245
ALA A 198
ASN A 201
 None
 1.29A 3t7sA-5olsA:
undetectable		 3t7sA-5olsA:
18.11
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.
5orm CPPR-TELO1

(synthetic
construct) 		no annotation 5 GLY A 191
GLY A 189
SER A 223
GLU A 198
ALA A 199
 None
 1.24A 3t7sA-5ormA:
undetectable		 3t7sA-5ormA:
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.
5orm CPPR-TELO1

(synthetic
construct) 		no annotation 5 GLY A 226
GLY A 224
SER A 258
GLU A 233
ALA A 234
 None
 1.25A 3t7sA-5ormA:
undetectable		 3t7sA-5ormA:
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.
5orm CPPR-TELO1

(synthetic
construct) 		no annotation 5 GLY A 261
GLY A 259
SER A 293
GLU A 268
ALA A 269
 None
 1.33A 3t7sA-5ormA:
undetectable		 3t7sA-5ormA:
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.
5orm CPPR-TELO1

(synthetic
construct) 		no annotation 5 GLY A 331
GLY A 329
SER A 363
GLU A 338
ALA A 339
 None
 1.26A 3t7sA-5ormA:
undetectable		 3t7sA-5ormA:
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 5 ARG A 560
GLY A 601
GLY A 562
SER A 598
GLU A 298
 None
 1.04A 3t7sA-5ta1A:
undetectable		 3t7sA-5ta1A:
18.56
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 GLN A  20
GLY A  56
GLY A  59
ASP A  58
GLU A  54
 None
 1.05A 3t7sA-5u4tA:
11.1		 3t7sA-5u4tA:
20.18
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.
5u8z CAROTENOID OXYGENASE
1

(Neurospora
crassa) 		PF03055
(RPE65) 		5 GLN A 188
GLY A 228
GLY A 231
ASP A 230
ALA A 234
 None
 1.14A 3t7sA-5u8zA:
undetectable		 3t7sA-5u8zA:
18.89
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.
5xao UNCHARACTERIZED
PROTEIN

(Parastagonospora
nodorum) 		PF01266
(DAO) 		5 GLY A  14
GLY A  16
ASP A  41
SER A 185
ALA A 216
 FAD  A 501 (-3.4A)
FAD  A 501 (-4.2A)
FAD  A 501 (-2.9A)
FAD  A 501 (-4.7A)
FAD  A 501 (-4.0A)
 1.20A 3t7sA-5xaoA:
2.6		 3t7sA-5xaoA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bwl PAL

(Bacillus
thuringiensis) 		no annotation 5 GLY A 243
GLY A 245
ASP A 215
GLU A 293
ASN A 241
 None
None
EDO  A 405 (-4.4A)
None
None
 1.16A 3t7sA-6bwlA:
5.4		 3t7sA-6bwlA:
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.
6dub -

(-) 		no annotation 5 ARG A 129
GLY A 124
GLY A 126
ASP A 146
SER A 173
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.0A)
SAH  A 301 (-2.8A)
UNX  A 311 (-4.0A)
 0.82A 3t7sA-6dubA:
17.0		 3t7sA-6dubA:
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 GLN A 707
GLY A 883
GLY A 898
SER A 921
ALA A 895
 None
 1.27A 3t7sA-6etzA:
undetectable		 3t7sA-6etzA:
undetectable