SIMILAR PATTERNS OF AMINO ACIDS FOR 3T7S_D_SAMD300_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.
1bsf THYMIDYLATE SYNTHASE
A

(Bacillus
subtilis) 		PF00303
(Thymidylat_synt) 		5 GLN A  47
GLY A 219
GLU A 164
ALA A 180
ASN A 183
 None
 1.31A 3t7sD-1bsfA:
undetectable		 3t7sD-1bsfA:
20.60
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.
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
 1.29A 3t7sD-1cijA:
undetectable		 3t7sD-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.
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanosarcina
barkeri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ARG B2384
GLY B2385
GLN B2234
SER B2209
ALA B2305
 None
 1.27A 3t7sD-1e6yB:
undetectable		 3t7sD-1e6yB:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1euf DUODENASE

(Bos taurus) 		PF00089
(Trypsin) 		5 ARG A  27
GLY A 140
ASP A 194
PHE A 191
ASN A 189
 None
 1.36A 3t7sD-1eufA:
undetectable		 3t7sD-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.
1hyn BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF07565
(Band_3_cyto) 		5 GLY P 206
ASP P 205
GLU P  86
ALA P  93
ASN P  91
 None
 1.31A 3t7sD-1hynP:
undetectable		 3t7sD-1hynP:
19.70
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.
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
 1.24A 3t7sD-1iq0A:
undetectable		 3t7sD-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.
1khc DNA CYTOSINE-5
METHYLTRANSFERASE
3B2

(Mus musculus) 		PF00855
(PWWP) 		5 GLN A 269
GLY A 272
GLY A 274
ASP A 273
ALA A 308
 UNX  A 166 (-3.8A)
UNX  A 164 (-3.9A)
UNX  A 166 ( 3.6A)
None
None
 1.27A 3t7sD-1khcA:
undetectable		 3t7sD-1khcA:
19.22
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.
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)
 1.34A 3t7sD-1la2A:
undetectable		 3t7sD-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
 1.31A 3t7sD-1lpfA:
2.1		 3t7sD-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.
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
 1.24A 3t7sD-1m32A:
3.7		 3t7sD-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
 0.83A 3t7sD-1mhsA:
undetectable		 3t7sD-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)
 0.57A 3t7sD-1n7jA:
13.9		 3t7sD-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
 0.80A 3t7sD-1oxxK:
undetectable		 3t7sD-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.
1pyt CHYMOTRYPSINOGEN C

(Bos taurus) 		PF00089
(Trypsin) 		5 GLN D 730
GLY D 842
GLY D 840
ASP D 894
ALA D 852
 None
 1.28A 3t7sD-1pytD:
undetectable		 3t7sD-1pytD:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.31A 3t7sD-1t90A:
3.6		 3t7sD-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
GLY A  49
GLU A  20
ALA A  22
 None
 1.30A 3t7sD-1uaqA:
undetectable		 3t7sD-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.
1uay TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 GLY A  10
GLY A  13
SER A  72
GLU A  39
ALA A  19
 None
 1.35A 3t7sD-1uayA:
4.5		 3t7sD-1uayA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1us4 PUTATIVE GLUR0
LIGAND BINDING CORE

(Thermus
thermophilus) 		PF16868
(NMT1_3) 		5 GLN A  78
GLY A 140
GLY A 142
ALA A  62
ASN A  65
 GLU  A1313 (-3.7A)
None
GLU  A1313 (-3.5A)
None
None
 1.12A 3t7sD-1us4A:
undetectable		 3t7sD-1us4A:
20.99
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.
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)
 1.26A 3t7sD-1vkoA:
2.1		 3t7sD-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.
1vzy 33 KDA CHAPERONIN

(Bacillus
subtilis) 		PF01430
(HSP33) 		5 ARG A  30
GLN A  29
GLY A  33
SER A  90
GLU A  27
 None
 1.26A 3t7sD-1vzyA:
undetectable		 3t7sD-1vzyA:
22.32
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.
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
 1.18A 3t7sD-1wl7A:
undetectable		 3t7sD-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.
1y4u CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ARG A 142
GLY A  82
GLY A  84
SER A  40
GLU A  58
 None
 1.26A 3t7sD-1y4uA:
undetectable		 3t7sD-1y4uA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3t7sD-1yzfA:
2.5		 3t7sD-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)
 0.58A 3t7sD-2a14A:
14.5		 3t7sD-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.
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
 1.19A 3t7sD-2cb1A:
2.2		 3t7sD-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.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ARG A 237
GLY A 188
SER A 103
GLU A  16
ALA A 313
 None
None
SO4  A 402 (-3.7A)
None
None
 1.27A 3t7sD-2g17A:
4.2		 3t7sD-2g17A:
22.25
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 GLN A 111
GLY A 397
GLY A 395
SER A 327
ALA A 399
 None
 1.11A 3t7sD-2g28A:
undetectable		 3t7sD-2g28A:
15.06
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.
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
 1.09A 3t7sD-2gfqA:
undetectable		 3t7sD-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
 1.15A 3t7sD-2gp6A:
undetectable		 3t7sD-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
 1.13A 3t7sD-2iorA:
undetectable		 3t7sD-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
 1.20A 3t7sD-2ix4A:
undetectable		 3t7sD-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.
2j92 PICORNAIN 3C

(Foot-and-mouth
disease virus) 		PF00548
(Peptidase_C3) 		5 GLY A 189
GLY A 187
SER A 182
GLU A 132
ALA A 153
 None
 1.35A 3t7sD-2j92A:
undetectable		 3t7sD-2j92A:
20.98
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.
2lbp LEUCINE-BINDING
PROTEIN

(Escherichia
coli) 		PF13458
(Peripla_BP_6) 		5 GLY A 224
GLN A 124
PHE A 222
MET A 244
GLU A 226
 None
 1.26A 3t7sD-2lbpA:
3.9		 3t7sD-2lbpA:
22.19
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A  58
PHE A  97
MET A  99
GLU A  54
ALA A  88
 None
 1.31A 3t7sD-2q27A:
undetectable		 3t7sD-2q27A:
18.01
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.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 407
GLY A 405
ASP A 379
GLU A 438
ALA A 410
 None
 1.24A 3t7sD-2q5oA:
undetectable		 3t7sD-2q5oA:
17.85
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.
2yyv PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Thermotoga
maritima) 		PF04029
(2-ph_phosp) 		5 GLY A 164
GLY A 162
ASP A   3
GLU A 169
ALA A 167
 None
 1.32A 3t7sD-2yyvA:
undetectable		 3t7sD-2yyvA:
25.09
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.
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
 0.97A 3t7sD-3au0A:
undetectable		 3t7sD-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.
3bgf F26G19 FAB
SPIKE PROTEIN S1

(Mus musculus;
Severe acute
respiratory
syndrome-related
coronavirus) 		no annotation
no annotation 		5 GLN H  99
GLY S 391
GLY S 490
GLN S 492
ASP S 392
 None
 1.33A 3t7sD-3bgfH:
undetectable		 3t7sD-3bgfH:
20.79
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.
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
 1.36A 3t7sD-3c9rA:
undetectable		 3t7sD-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
 1.25A 3t7sD-3ckyA:
5.4		 3t7sD-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.
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
 1.25A 3t7sD-3d4uA:
undetectable		 3t7sD-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 3t7sD-3dliA:
14.8		 3t7sD-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.
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 3t7sD-3errA:
undetectable		 3t7sD-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) 		6 GLN A  26
GLY A  54
GLN A  60
MET A 105
GLU A 121
ASN A 126
 None
 1.33A 3t7sD-3f4kA:
33.6		 3t7sD-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) 		7 GLN A  26
GLY A  54
GLY A  56
GLN A  60
ASP A  76
MET A 105
GLU A 121
 None
 0.47A 3t7sD-3f4kA:
33.6		 3t7sD-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) 		7 GLN A  26
GLY A  54
GLY A  56
GLN A  60
ASP A  76
SER A 104
GLU A 121
 None
 0.72A 3t7sD-3f4kA:
33.6		 3t7sD-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.
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)
 1.35A 3t7sD-3g5tA:
15.4		 3t7sD-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.
3gd5 ORNITHINE
CARBAMOYLTRANSFERASE

(Gloeobacter
violaceus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ARG A 208
GLY A 181
GLY A 210
GLU A  24
ALA A 178
 None
 1.27A 3t7sD-3gd5A:
6.6		 3t7sD-3gd5A:
21.08
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 224
GLN A 171
ASP A 188
GLU A 226
ALA A 228
 None
 0.78A 3t7sD-3gveA:
undetectable		 3t7sD-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.
3h1l MITOCHONDRIAL
CYTOCHROME C1, HEME
PROTEIN

(Gallus gallus) 		PF02167
(Cytochrom_C1) 		5 GLY D 174
ASP D 173
SER D  25
GLU D 170
ALA D 177
 None
 1.22A 3t7sD-3h1lD:
undetectable		 3t7sD-3h1lD:
22.86
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.
3i3w PHOSPHOGLUCOSAMINE
MUTASE

(Francisella
tularensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ARG A 244
GLY A 240
SER A  52
ALA A 100
ASN A 108
 SEP  A 101 ( 4.1A)
SEP  A 101 ( 3.3A)
None
SEP  A 101 ( 3.6A)
None
 1.33A 3t7sD-3i3wA:
undetectable		 3t7sD-3i3wA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j0h PHIKZ029

(Pseudomonas
virus phiKZ) 		no annotation 5 GLY A 378
SER A 195
GLU A 159
ALA A 375
ASN A 204
 None
 1.12A 3t7sD-3j0hA:
undetectable		 3t7sD-3j0hA:
19.87
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) 		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 301 (-3.7A)
SAM  A 301 (-4.4A)
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)
 0.32A 3t7sD-3kkzA:
37.8		 3t7sD-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
 0.92A 3t7sD-3mc1A:
undetectable		 3t7sD-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.
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)
 1.30A 3t7sD-3or2A:
undetectable		 3t7sD-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
 1.25A 3t7sD-3oslA:
undetectable		 3t7sD-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.
3p30 1281 FAB LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLN L   6
GLY L  99
SER L  95
ALA L  90
ASN L  27
 None
 1.19A 3t7sD-3p30L:
undetectable		 3t7sD-3p30L:
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.
3rpd METHIONINE SYNTHASE
(B12-INDEPENDENT)

(Shewanella sp.
W3-18-1) 		PF01717
(Meth_synt_2) 		5 GLN A  74
GLY A  21
GLY A  72
GLN A  61
PHE A  79
 None
 1.31A 3t7sD-3rpdA:
undetectable		 3t7sD-3rpdA:
21.56
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.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 GLN A 336
GLY A 255
PHE A  47
SER A  44
GLU A 259
 None
 1.08A 3t7sD-3sghA:
undetectable		 3t7sD-3sghA:
20.91
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) 		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 300 (-4.0A)
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)
 0.28A 3t7sD-3t7sA:
38.4		 3t7sD-3t7sA:
100.00
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) 		5 GLN A  26
GLY A  54
GLY A  56
ASP A  76
ALA A 123
 SAM  A 300 (-3.5A)
SAM  A 300 (-3.7A)
SAM  A 300 (-3.4A)
SAM  A 300 (-2.8A)
SAM  A 300 (-3.6A)
 1.24A 3t7sD-3t7sA:
38.4		 3t7sD-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.
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
 1.25A 3t7sD-3uaqA:
undetectable		 3t7sD-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.
3vi3 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 GLY A 376
GLY A 377
GLN A 403
PHE A 348
ALA A 373
 None
 1.23A 3t7sD-3vi3A:
undetectable		 3t7sD-3vi3A:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL

(Cavia porcellus) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 GLN A 400
GLY A 401
SER A 392
GLU A 407
ALA A 488
 None
 1.11A 3t7sD-4bc7A:
undetectable		 3t7sD-4bc7A:
18.03
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.
4bkw ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 9

(Homo sapiens) 		PF11979
(DUF3480) 		5 ARG A1095
GLY A1031
GLN A1060
SER A1021
GLU A1063
 None
 0.96A 3t7sD-4bkwA:
undetectable		 3t7sD-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.
4dt4 FKBP-TYPE 16 KDA
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 GLN A 132
GLY A  72
GLY A 131
GLU A  66
ALA A  70
 None
 1.09A 3t7sD-4dt4A:
undetectable		 3t7sD-4dt4A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ffu OXIDASE

(Sinorhizobium
meliloti) 		PF01575
(MaoC_dehydratas) 		5 ARG A  57
GLN A  56
GLY A  97
ASP A  98
GLU A  26
 None
 1.34A 3t7sD-4ffuA:
undetectable		 3t7sD-4ffuA:
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.
4h4c 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE

(Escherichia
coli) 		PF02401
(LYTB) 		5 GLN A 166
GLY A 120
SER A 116
MET A 141
GLU A 128
 None
 1.30A 3t7sD-4h4cA:
undetectable		 3t7sD-4h4cA:
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.
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
 0.79A 3t7sD-4kvlA:
undetectable		 3t7sD-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
 1.34A 3t7sD-4mg3A:
undetectable		 3t7sD-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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		5 GLN A 114
GLY A  15
GLY A  12
ASP A 164
ALA A  17
 None
 1.24A 3t7sD-4n9xA:
3.2		 3t7sD-4n9xA:
20.84
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.
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
 1.31A 3t7sD-4phbA:
undetectable		 3t7sD-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.
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)
 0.42A 3t7sD-4qtuB:
16.1		 3t7sD-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.
4uhm OMEGA AMINO
ACID-PYRUVATE
AMINOTRANSFERASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 GLN A 243
GLY A 201
GLY A 240
ALA A 205
ASN A 206
 None
None
EOH  A1452 (-4.0A)
None
None
 1.18A 3t7sD-4uhmA:
undetectable		 3t7sD-4uhmA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3t7sD-4wh3A:
undetectable		 3t7sD-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.
4wk4 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP) 		5 GLY A 376
GLY A 377
GLN A 403
PHE A 348
ALA A 373
 None
 1.24A 3t7sD-4wk4A:
undetectable		 3t7sD-4wk4A:
18.91
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.
4wmy INTELECTIN-1

(Homo sapiens) 		no annotation 5 GLN A 278
GLY A 290
ASP A 287
PHE A 286
SER A 299
 None
 1.25A 3t7sD-4wmyA:
undetectable		 3t7sD-4wmyA:
20.36
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.
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
 1.26A 3t7sD-4wn9A:
undetectable		 3t7sD-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.
4wr2 PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Shewanella
loihica) 		PF01156
(IU_nuc_hydro) 		5 GLN A  86
GLY A  58
ASP A  61
MET A 196
ASN A 212
 None
None
CA  A 401 (-2.3A)
None
CA  A 401 ( 4.4A)
 1.32A 3t7sD-4wr2A:
2.6		 3t7sD-4wr2A:
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.
4xgk UDP-GALACTOPYRANOSE
MUTASE

(Corynebacterium
diphtheriae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 ARG A 358
GLY A  40
GLY A  12
SER A 205
ALA A  43
 FDA  A 403 (-3.8A)
None
FDA  A 403 (-3.3A)
None
FDA  A 403 ( 4.5A)
 1.31A 3t7sD-4xgkA:
undetectable		 3t7sD-4xgkA:
23.56
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.
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
 1.22A 3t7sD-4xmvA:
undetectable		 3t7sD-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
 1.32A 3t7sD-4xr9A:
5.0		 3t7sD-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.
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
 1.32A 3t7sD-4zhjA:
2.0		 3t7sD-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.
5aff SYMPORTIN 1

(Chaetomium
thermophilum) 		no annotation 5 GLN A 553
GLY A 556
GLY A 554
SER A 533
GLU A 600
 None
 1.22A 3t7sD-5affA:
undetectable		 3t7sD-5affA:
17.84
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.
5anb 60S RIBOSOMAL
PROTEIN L10

(Dictyostelium
discoideum) 		PF00252
(Ribosomal_L16) 		5 ARG F  38
GLY F 194
GLU F  45
ALA F 195
ASN F 196
 None
C  N1226 ( 3.8A)
None
G  N1225 ( 3.8A)
U  N1257 ( 3.4A)
 1.33A 3t7sD-5anbF:
undetectable		 3t7sD-5anbF:
20.68
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.
5c2k TRANSFORMING PROTEIN
RHOA,RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00071
(Ras)
PF00620
(RhoGAP) 		5 ARG A 247
GLN A  63
GLY A  12
GLY A  62
ASN A  94
 GDP  A 503 ( 3.5A)
AF3  A 502 (-3.2A)
None
AF3  A 502 (-3.4A)
None
 1.21A 3t7sD-5c2kA:
undetectable		 3t7sD-5c2kA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cd2 ENDO-1,4-D-GLUCANASE

(Aliivibrio
fischeri) 		PF01270
(Glyco_hydro_8) 		5 GLN A 372
GLY A 367
GLY A 369
GLN A  48
ALA A 324
 None
 1.18A 3t7sD-5cd2A:
undetectable		 3t7sD-5cd2A:
19.16
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.
5g52 VP1
VP3

(Deformed wing
virus;
Deformed wing
virus) 		PF08762
(CRPV_capsid)
PF00073
(Rhv) 		5 GLN A  41
GLY A  90
GLN C 243
ASP A  89
MET A 242
 None
 1.30A 3t7sD-5g52A:
undetectable		 3t7sD-5g52A:
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.
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
 1.31A 3t7sD-5gyyA:
undetectable		 3t7sD-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
 1.29A 3t7sD-5ho9A:
undetectable		 3t7sD-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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 ARG A 744
GLY A 742
PHE A 678
GLU A 748
ALA A 642
 None
 1.35A 3t7sD-5kf7A:
undetectable		 3t7sD-5kf7A:
11.56
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.
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)
 0.87A 3t7sD-5l2rA:
undetectable		 3t7sD-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
 1.26A 3t7sD-5l9wA:
undetectable		 3t7sD-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.
5ols RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 216
GLY A 218
SER A 245
ALA A 198
ASN A 201
 None
 1.28A 3t7sD-5olsA:
undetectable		 3t7sD-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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 5 ARG A 560
GLY A 601
GLY A 562
SER A 598
GLU A 298
 None
 1.07A 3t7sD-5ta1A:
undetectable		 3t7sD-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.
5txw PEPTIDASE

(Thermococcus
thioreducens) 		PF01965
(DJ-1_PfpI) 		5 GLY A 102
GLN A 104
PHE A   5
GLU A  74
ALA A  72
 OCS  A 100 ( 4.5A)
None
None
None
None
 1.30A 3t7sD-5txwA:
undetectable		 3t7sD-5txwA:
20.94
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.
5x62 CARNOSINE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF07942
(N2227) 		5 ARG A 111
GLN A 108
GLY A 146
GLY A 148
SER A 234
 SAH  A 501 (-4.0A)
SAH  A 501 (-3.4A)
SAH  A 501 (-3.2A)
SAH  A 501 ( 3.7A)
SAH  A 501 (-3.6A)
 1.21A 3t7sD-5x62A:
13.0		 3t7sD-5x62A:
20.62
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.
6bi4 DTDP-GLUCOSE
4,6-DEHYDRATASE

(Bacillus
anthracis) 		no annotation 5 GLY A 242
GLY A 243
GLU A 294
ALA A 284
ASN A 240
 None
 1.32A 3t7sD-6bi4A:
6.2		 3t7sD-6bi4A:
21.63
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.
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
 1.14A 3t7sD-6bwlA:
5.3		 3t7sD-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)
 0.77A 3t7sD-6dubA:
17.3		 3t7sD-6dubA:
undetectable