SIMILAR PATTERNS OF AMINO ACIDS FOR 4A6D_A_SAMA1350_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.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 GLY A  24
GLY A  20
ILE A  29
VAL A  51
ALA A  96
 None
NAI  A 302 ( 4.1A)
None
None
NAI  A 302 ( 4.3A)
 1.14A 4a6dA-1ahiA:
5.8		 4a6dA-1ahiA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c0i D-AMINO ACID OXIDASE

(Rhodotorula
toruloides) 		PF01266
(DAO) 		5 PHE A1157
LEU A1021
GLY A1013
GLY A1016
VAL A1009
 None
None
FAD  A1363 (-3.3A)
None
None
 1.13A 4a6dA-1c0iA:
0.0		 4a6dA-1c0iA:
24.69
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.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		5 TYR A 136
LEU A 198
GLY A 187
GLY A 192
ALA A 211
 None
 1.16A 4a6dA-1c7jA:
0.0		 4a6dA-1c7jA:
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.
1g0v PROTEINASE A
PROTEASE A INHIBITOR
3

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00026
(Asp)
PF10466
(Inhibitor_I34) 		5 TYR A 189
LEU B  19
ILE A 128
VAL B  26
ASP A  32
 None
 1.15A 4a6dA-1g0vA:
0.0		 4a6dA-1g0vA:
22.73
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.
1ioa ARCELIN-5A

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		5 PHE A  67
GLY A 201
ILE A  56
VAL A 198
ALA A  88
 None
 0.99A 4a6dA-1ioaA:
undetectable		 4a6dA-1ioaA:
20.64
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.
1kc8 RIBOSOMAL PROTEIN
L21E

(Haloarcula
marismortui) 		PF01157
(Ribosomal_L21e) 		5 PHE R  52
GLY R  61
ILE R  84
VAL R  73
ASP R  57
 None
 1.12A 4a6dA-1kc8R:
undetectable		 4a6dA-1kc8R:
15.85
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.
1o5t TRYPTOPHANYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 PHE A 280
GLY A 163
GLY A 161
ALA A 215
ASP A 198
 None
 1.16A 4a6dA-1o5tA:
undetectable		 4a6dA-1o5tA:
23.47
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.
1r9l GLYCINE
BETAINE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF04069
(OpuAC) 		5 TYR A 153
GLY A  95
GLY A 230
ILE A 111
VAL A 208
 None
 1.09A 4a6dA-1r9lA:
undetectable		 4a6dA-1r9lA:
19.68
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 224
GLY A 220
ILE A 244
VAL A 217
ALA A  38
 None
 1.03A 4a6dA-1tkcA:
3.2		 4a6dA-1tkcA:
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 224
GLY A 220
ILE A 244
VAL A 217
PHE A 154
 None
 1.13A 4a6dA-1tkcA:
3.2		 4a6dA-1tkcA:
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		5 LEU A  53
GLY A  11
GLY A  51
VAL A 111
ALA A  34
 None
 1.17A 4a6dA-1tz6A:
3.4		 4a6dA-1tz6A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		5 TYR A  20
GLY A 133
GLY A  45
ILE A  41
ALA A 140
 None
 1.14A 4a6dA-1tzsA:
undetectable		 4a6dA-1tzsA:
20.47
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.
1uan HYPOTHETICAL PROTEIN
TT1542

(Thermus
thermophilus) 		PF02585
(PIG-L) 		5 PHE A 213
GLY A  19
GLY A  14
VAL A   6
ARG A 194
 None
 1.07A 4a6dA-1uanA:
undetectable		 4a6dA-1uanA:
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.
1uc8 LYSINE BIOSYNTHESIS
ENZYME

(Thermus
thermophilus) 		PF08443
(RimK) 		5 PHE A 256
LEU A  53
GLY A 269
VAL A 184
ALA A  20
 None
 1.10A 4a6dA-1uc8A:
undetectable		 4a6dA-1uc8A:
24.06
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.
1wy6 HYPOTHETICAL PROTEIN
ST1625

(Sulfurisphaera
tokodaii) 		PF09205
(DUF1955) 		5 PHE A  46
LEU A  20
GLY A  27
ILE A  66
VAL A  62
 None
 0.87A 4a6dA-1wy6A:
undetectable		 4a6dA-1wy6A:
18.87
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.
1wzz PROBABLE
ENDOGLUCANASE

(Komagataeibacter
xylinus) 		PF01270
(Glyco_hydro_8) 		5 PHE A  65
GLY A  60
GLY A  58
VAL A  45
ARG A 248
 None
 0.98A 4a6dA-1wzzA:
undetectable		 4a6dA-1wzzA:
22.02
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT
D-LYSINE
5,6-AMINOMUTASE BETA
SUBUNIT

(Acetoanaerobium
sticklandii;
Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A)
PF02310
(B12-binding)
PF16554
(OAM_dimer) 		5 TYR B  82
LEU A 409
GLY A 380
VAL B  67
PHE B  78
 None
 1.03A 4a6dA-1xrsB:
2.8		 4a6dA-1xrsB:
22.84
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.
1ys9 PROTEIN SPY1043

(Streptococcus
pyogenes) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 PHE A 142
GLY A 119
ILE A 143
PHE A 178
ALA A 163
 None
 1.07A 4a6dA-1ys9A:
3.0		 4a6dA-1ys9A:
20.74
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.
2c7z 3-KETOACYL-COA
THIOLASE 2

(Arabidopsis
thaliana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 297
GLY A 299
VAL A  82
PHE A  70
ASP A 261
 None
 1.03A 4a6dA-2c7zA:
undetectable		 4a6dA-2c7zA:
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.
2d0d 2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 GLY A  37
GLY A  35
PHE A 183
ALA A  42
ASP A  61
 None
 1.16A 4a6dA-2d0dA:
undetectable		 4a6dA-2d0dA:
23.72
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.
2dr3 UPF0273 PROTEIN
PH0284

(Pyrococcus
horikoshii) 		PF06745
(ATPase) 		5 PHE A  39
LEU A  16
GLY A  11
ILE A 231
VAL A 233
 None
 0.99A 4a6dA-2dr3A:
undetectable		 4a6dA-2dr3A:
19.33
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		6 GLY A 363
ILE A 386
VAL A 292
PHE A 227
ALA A 114
ARG A  82
 None
 0.96A 4a6dA-2g28A:
2.0		 4a6dA-2g28A:
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.
2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Thermus
thermophilus) 		PF13416
(SBP_bac_8) 		5 LEU A 185
GLY A 192
GLY A 189
ILE A 366
ALA A 168
 None
 1.15A 4a6dA-2gh9A:
undetectable		 4a6dA-2gh9A:
24.00
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 TYR X 255
LEU X 227
ILE X 235
VAL X 259
ALA X 281
 None
 1.10A 4a6dA-2iv2X:
undetectable		 4a6dA-2iv2X:
18.47
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 420
GLY A 433
GLY A 431
ILE A 465
PHE A  53
 None
 1.00A 4a6dA-2ji9A:
3.4		 4a6dA-2ji9A:
19.76
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.
2o0x 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00275
(EPSP_synthase) 		5 PHE A 415
LEU A 395
GLY A 390
ILE A 405
ALA A 318
 None
 1.14A 4a6dA-2o0xA:
undetectable		 4a6dA-2o0xA:
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.
2o3c APEX NUCLEASE 1

(Danio rerio) 		PF03372
(Exo_endo_phos) 		5 LEU A  65
GLY A 114
GLY A 123
ILE A 151
ALA A  93
 None
 0.97A 4a6dA-2o3cA:
undetectable		 4a6dA-2o3cA:
20.75
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.
2og9 MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 293
GLY A 120
ILE A 295
VAL A 124
ASP A 288
 None
 1.09A 4a6dA-2og9A:
undetectable		 4a6dA-2og9A:
23.42
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.
2ogx MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 GLY A  79
ILE A  46
ALA A  84
ARG A  85
ASP A  52
 ATP  A 281 (-3.2A)
None
None
ATP  A 281 (-4.2A)
None
 1.13A 4a6dA-2ogxA:
undetectable		 4a6dA-2ogxA:
22.40
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.
2p8e PPM1B BETA ISOFORM
VARIANT 6

(Homo sapiens) 		PF00481
(PP2C) 		5 PHE A 110
GLY A 136
ILE A 106
VAL A 226
PHE A  55
 None
 1.17A 4a6dA-2p8eA:
undetectable		 4a6dA-2p8eA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 415
GLY A 428
GLY A 426
ILE A 460
PHE A  51
 None
 1.08A 4a6dA-2q27A:
undetectable		 4a6dA-2q27A:
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.
2qm1 GLUCOKINASE

(Enterococcus
faecalis) 		PF00480
(ROK) 		5 GLY A 267
GLY A 140
ILE A 137
VAL A 143
ALA A 271
 None
 1.17A 4a6dA-2qm1A:
undetectable		 4a6dA-2qm1A:
20.32
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 TYR A 641
LEU A 386
GLY A 664
GLY A 668
VAL A 618
 None
 1.13A 4a6dA-2x05A:
undetectable		 4a6dA-2x05A:
15.72
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		5 PHE A 422
LEU A 622
GLY A 630
VAL A 550
ALA A 532
 None
 1.14A 4a6dA-2x2iA:
undetectable		 4a6dA-2x2iA:
15.76
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.
3a5r BENZALACETONE
SYNTHASE

(Rheum palmatum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 365
ILE A 294
VAL A 335
ALA A 236
ARG A 165
 None
 1.16A 4a6dA-3a5rA:
undetectable		 4a6dA-3a5rA:
21.50
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.
3bxh CENTRAL GLYCOLYTIC
GENE REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		5 TYR A 215
GLY A 289
GLY A 176
ILE A 219
VAL A 206
 None
 1.08A 4a6dA-3bxhA:
undetectable		 4a6dA-3bxhA:
20.56
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 PHE A 126
GLY A  82
GLY A 111
ILE A 124
ASP A 102
 None
SAH  A 464 ( 4.6A)
None
None
SAH  A 464 (-2.8A)
 1.08A 4a6dA-3c3yA:
11.3		 4a6dA-3c3yA:
21.55
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.
3fmc PUTATIVE
SUCCINYLGLUTAMATE
DESUCCINYLASE /
ASPARTOACYLASE

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		5 LEU A  64
GLY A 268
GLY A  32
ILE A 166
ALA A 271
 None
 1.15A 4a6dA-3fmcA:
undetectable		 4a6dA-3fmcA:
23.13
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 GLY A 190
GLY A 192
VAL A 217
PHE A 241
ASP A 260
 SAH  A 350 (-4.1A)
SAH  A 350 (-3.6A)
SAH  A 350 ( 4.7A)
SAH  A 350 (-3.6A)
MQA  A 351 (-2.8A)
 0.48A 4a6dA-3gxoA:
33.6		 4a6dA-3gxoA:
27.18
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.
3krs TRIOSEPHOSPHATE
ISOMERASE

(Cryptosporidium
parvum) 		PF00121
(TIM) 		5 PHE A  61
GLY A   9
GLY A   8
PHE A  11
ALA A 236
 None
 1.06A 4a6dA-3krsA:
undetectable		 4a6dA-3krsA:
20.72
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.
3kst ENDO-1,4-BETA-XYLANA
SE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		5 TYR A 288
GLY A 215
ILE A 228
VAL A 241
ALA A 105
 None
CA  A 400 ( 4.8A)
None
None
CA  A 400 ( 4.6A)
 1.14A 4a6dA-3kstA:
undetectable		 4a6dA-3kstA:
20.92
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.
3kv1 TRANSCRIPTIONAL
REPRESSOR

(Aliivibrio
fischeri) 		PF04198
(Sugar-bind) 		5 GLY A 188
GLY A  59
ILE A 186
VAL A 151
ALA A 119
 GOL  A 271 (-3.7A)
None
None
None
None
 1.14A 4a6dA-3kv1A:
undetectable		 4a6dA-3kv1A:
21.14
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.
3oev PROTEASOME COMPONENT
C1

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 PHE F 138
LEU F  88
GLY F  92
ILE F  74
VAL F  70
 None
 0.98A 4a6dA-3oevF:
undetectable		 4a6dA-3oevF:
22.71
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 194
GLY A  67
VAL A  23
ALA A 210
ASP A 114
 None
 0.97A 4a6dA-3pv2A:
undetectable		 4a6dA-3pv2A:
22.91
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.
3qpf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF06824
(Glyco_hydro_125) 		5 LEU A 377
GLY A 345
ILE A 329
PHE A 337
ALA A 343
 None
 1.07A 4a6dA-3qpfA:
undetectable		 4a6dA-3qpfA:
22.54
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.
3sg1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
anthracis) 		PF00275
(EPSP_synthase) 		5 PHE A 403
GLY A 381
ILE A   4
VAL A   6
ALA A 313
 None
 1.00A 4a6dA-3sg1A:
undetectable		 4a6dA-3sg1A:
24.79
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.
3sti PROTEASE DEGQ

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 GLY A 188
GLY A  65
VAL A  29
ALA A 204
ASP A 112
 None
 1.02A 4a6dA-3stiA:
undetectable		 4a6dA-3stiA:
19.84
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.
3wxb UNCHARACTERIZED
PROTEIN

(Gallus gallus) 		PF00106
(adh_short) 		5 LEU A  26
GLY A  19
GLY A  21
VAL A 231
ALA A  38
 None
 1.00A 4a6dA-3wxbA:
3.4		 4a6dA-3wxbA:
23.72
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.
3wxr PROBABLE PROTEASOME
SUBUNIT ALPHA TYPE-7

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 PHE G 137
LEU G  87
GLY G  91
ILE G  73
VAL G  69
 None
 1.03A 4a6dA-3wxrG:
undetectable		 4a6dA-3wxrG:
23.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		8 PHE A 143
LEU A 160
TRP A 164
GLY A 188
ILE A 211
PHE A 237
ARG A 252
ASP A 256
 SAM  A1349 (-3.8A)
SAM  A1349 (-4.1A)
SAM  A1349 (-4.2A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-4.6A)
SAM  A1349 (-3.5A)
SAM  A1349 ( 3.8A)
ASE  A1350 ( 2.9A)
 1.03A 4a6dA-4a6eA:
52.4		 4a6dA-4a6eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		12 PHE A 143
TYR A 147
LEU A 160
TRP A 164
GLY A 187
GLY A 189
ILE A 211
VAL A 214
PHE A 237
ALA A 251
ARG A 252
ASP A 256
 SAM  A1349 (-3.8A)
SAM  A1349 (-4.7A)
SAM  A1349 (-4.1A)
SAM  A1349 (-4.2A)
SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-4.6A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.5A)
SAM  A1349 (-3.7A)
SAM  A1349 ( 3.8A)
ASE  A1350 ( 2.9A)
 0.29A 4a6dA-4a6eA:
52.4		 4a6dA-4a6eA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		6 TYR A 147
LEU A 160
GLY A 188
VAL A 214
ALA A 251
ARG A 252
 SAM  A1349 (-4.7A)
SAM  A1349 (-4.1A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.7A)
SAM  A1349 ( 3.8A)
 1.14A 4a6dA-4a6eA:
52.4		 4a6dA-4a6eA:
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.
4ap3 STEROID
MONOOXYGENASE

(Rhodococcus
rhodochrous) 		PF00743
(FMO-like) 		5 TRP A  62
GLY A  28
GLY A  30
ILE A  37
ALA A  52
 FAD  A1552 (-4.0A)
FAD  A1552 (-3.1A)
FAD  A1552 (-3.5A)
None
FAD  A1552 (-3.7A)
 1.06A 4a6dA-4ap3A:
undetectable		 4a6dA-4ap3A:
21.79
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 224
GLY A 221
ILE A 244
VAL A 218
ALA A  36
 None
 1.16A 4a6dA-4c7vA:
3.2		 4a6dA-4c7vA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eht ACTIVATOR OF
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE

(Clostridioides
difficile) 		PF01869
(BcrAD_BadFG) 		5 TYR A  70
GLY A  15
GLY A   5
ILE A   8
ALA A  26
 None
 1.12A 4a6dA-4ehtA:
undetectable		 4a6dA-4ehtA:
20.95
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.
4g4i 4-O-METHYL-GLUCURONO
YL METHYLESTERASE

(Thermothelomyces
thermophila) 		no annotation 5 GLY A 211
GLY A 132
ILE A 128
ALA A 213
ARG A 214
 None
None
None
EDO  A 506 ( 4.1A)
EDO  A 506 (-3.6A)
 1.11A 4a6dA-4g4iA:
undetectable		 4a6dA-4g4iA:
22.79
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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 GLY A 250
GLY A 254
ILE A 160
VAL A 161
ALA A 276
 None
 1.02A 4a6dA-4hdsA:
undetectable		 4a6dA-4hdsA:
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.
4hu8 GH10 XYLANASE

(Globitermes
brachycerastes) 		PF00331
(Glyco_hydro_10)
PF02368
(Big_2) 		5 GLY A 441
GLY A 387
ILE A 397
ALA A 390
ASP A 394
 None
 1.05A 4a6dA-4hu8A:
undetectable		 4a6dA-4hu8A:
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.
4jot ENOYL-COA HYDRATASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF00378
(ECH_1) 		5 PHE A  44
GLY A 121
PHE A  65
ALA A 126
ARG A 157
 None
 0.99A 4a6dA-4jotA:
undetectable		 4a6dA-4jotA:
23.47
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.
4jqp 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Paraburkholderia
phymatum) 		PF04166
(PdxA) 		5 GLY A  23
GLY A  29
ILE A  20
VAL A  33
ALA A 107
 None
 1.13A 4a6dA-4jqpA:
undetectable		 4a6dA-4jqpA:
21.96
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.
4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE

(Sulfurimonas
denitrificans) 		PF01048
(PNP_UDP_1) 		5 LEU A 210
GLY A  75
ILE A  13
PHE A  73
ALA A  77
 None
None
None
None
ADE  A 305 (-4.8A)
 1.13A 4a6dA-4jwtA:
undetectable		 4a6dA-4jwtA:
19.40
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.
4mo2 UDP-GALACTOPYRANOSE
MUTASE

(Campylobacter
jejuni) 		no annotation 5 PHE B 100
LEU B 146
GLY B 139
ILE B 115
ALA B 134
 None
 1.16A 4a6dA-4mo2B:
2.8		 4a6dA-4mo2B:
18.41
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.
4r5z PUTATIVE
PHENYLALANINE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00155
(Aminotran_1_2) 		5 GLY A 227
GLY A  82
VAL A 248
PHE A 215
ALA A 229
 PMP  A 402 ( 4.6A)
None
None
None
None
 1.15A 4a6dA-4r5zA:
undetectable		 4a6dA-4r5zA:
23.65
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.
4rxt SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF13407
(Peripla_BP_4) 		5 LEU A  63
ILE A  39
VAL A  67
ALA A 292
ASP A 285
 None
 1.14A 4a6dA-4rxtA:
3.2		 4a6dA-4rxtA:
20.78
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.
4s3k SPORE GERMINATION
PROTEIN YAAH

(Bacillus
megaterium) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		5 TRP A 407
GLY A 136
GLY A 108
PHE A 167
ALA A 138
 None
 1.13A 4a6dA-4s3kA:
undetectable		 4a6dA-4s3kA:
21.05
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.
4ykn PHOSPHATIDYLINOSITOL
3-KINASE REGULATORY
SUBUNIT
ALPHA,PHOSPHATIDYLIN
OSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM FUSION
PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B)
PF16454
(PI3K_P85_iSH2) 		5 PHE A2016
LEU A1570
TRP A1574
GLY A1364
ASP A1603
 None
 0.99A 4a6dA-4yknA:
undetectable		 4a6dA-4yknA:
13.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		5 LEU A 367
GLY A 216
ILE A 183
VAL A 219
ALA A 332
 None
 0.99A 4a6dA-4yshA:
undetectable		 4a6dA-4yshA:
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.
5dtb CG3822

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		5 LEU A  82
GLY A  66
GLY A  77
ILE A  15
VAL A  60
 None
 1.12A 4a6dA-5dtbA:
undetectable		 4a6dA-5dtbA:
19.78
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.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		5 LEU A 953
GLY A 972
GLY A 969
ILE A 701
ALA A 915
 None
 1.14A 4a6dA-5dztA:
undetectable		 4a6dA-5dztA:
15.15
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.
5fbz ENZYME SUBTILASE
SUBHAL FROM BACILLUS
HALMAPALUS

(Bacillus
halmapalus) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 GLY A  84
GLY A  74
ILE A 259
ALA A  80
ASP A   2
 5VV  A   1 ( 4.4A)
5VV  A   1 ( 4.8A)
None
None
5VV  A   1 ( 4.7A)
 1.07A 4a6dA-5fbzA:
2.4		 4a6dA-5fbzA:
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.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum) 		no annotation 5 LEU B 191
GLY B  36
ILE B 300
VAL B 212
ALA B  38
 None
 0.87A 4a6dA-5i70B:
undetectable		 4a6dA-5i70B:
19.30
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.
5icl LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 PHE A  84
LEU A 125
ILE A 209
PHE A  -2
ALA A  99
 None
 1.06A 4a6dA-5iclA:
undetectable		 4a6dA-5iclA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLY L 246
GLY L 248
ILE L 446
PHE L 244
ALA L 162
 None
FAD  L 503 (-3.1A)
None
None
None
 0.91A 4a6dA-5jfcL:
undetectable		 4a6dA-5jfcL:
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.
5jia RAN-BINDING PROTEIN
10

(Mus musculus) 		PF00622
(SPRY) 		5 LEU A 132
GLY A 121
GLY A 141
ILE A 169
PHE A 105
 None
 1.14A 4a6dA-5jiaA:
undetectable		 4a6dA-5jiaA:
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.
5jiu RAN-BINDING PROTEIN
9

(Homo sapiens) 		PF00622
(SPRY) 		5 LEU A 244
GLY A 233
GLY A 253
ILE A 281
PHE A 217
 None
 1.16A 4a6dA-5jiuA:
undetectable		 4a6dA-5jiuA:
24.33
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.
5jlt MIDDLE TRANSCRIPTION
REGULATORY PROTEIN
MOTA

(Escherichia
virus T4) 		PF09158
(MotCF) 		5 PHE A 175
GLY A 148
GLY A 164
ILE A 172
VAL A 190
 None
 1.14A 4a6dA-5jltA:
undetectable		 4a6dA-5jltA:
17.50
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.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		5 LEU A 212
GLY A  77
ILE A  14
PHE A  75
ALA A  79
 None
None
None
None
4CT  A 301 (-4.5A)
 1.15A 4a6dA-5k1zA:
undetectable		 4a6dA-5k1zA:
21.10
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 PHE A 149
GLY A 105
GLY A 134
ILE A 147
ASP A 125
 None
SAM  A 301 ( 4.8A)
None
None
SAM  A 301 (-2.8A)
 1.07A 4a6dA-5kvaA:
11.2		 4a6dA-5kvaA:
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.
5l10 N-ACYLHOMOSERINE
LACTONE DEPENDENT
REGULATORY PROTEIN

(Burkholderia
cenocepacia) 		PF03472
(Autoind_bind) 		5 GLY A 127
GLY A 118
ILE A  79
VAL A  82
ALA A 157
 None
 1.11A 4a6dA-5l10A:
undetectable		 4a6dA-5l10A:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5me4 PROBABLE PHOSPHITE
TRANSPORT
SYSTEM-BINDING
PROTEIN HTXB

(Pseudomonas
stutzeri) 		no annotation 5 LEU A  40
ILE A 208
VAL A  66
ALA A 217
ARG A 221
 None
 1.15A 4a6dA-5me4A:
undetectable		 4a6dA-5me4A:
23.98
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.
5mkt RENIN-1

(Mus musculus) 		no annotation 5 TYR A  58
GLY A 172
GLY A  83
ILE A  79
ALA A 179
 None
 1.14A 4a6dA-5mktA:
undetectable		 4a6dA-5mktA:
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.
5mlg RENIN

(Rattus
norvegicus) 		no annotation 5 TYR A  58
GLY A 172
GLY A  83
ILE A  79
ALA A 179
 None
 1.11A 4a6dA-5mlgA:
undetectable		 4a6dA-5mlgA:
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT B
HETERODISULFIDE
REDUCTASE, SUBUNIT C

(Methanothermococcus
thermolithotrophicus;
Methanothermococcus
thermolithotrophicus) 		PF02754
(CCG)
PF13183
(Fer4_8) 		5 TYR C  52
LEU B 207
GLY B 198
ILE C  97
ALA B 196
 SF4  C 202 (-4.9A)
None
COM  B 303 (-4.0A)
None
9S8  B 302 ( 4.2A)
 1.15A 4a6dA-5odrC:
undetectable		 4a6dA-5odrC:
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.
5u4s PUTATIVE SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 LEU A  25
GLY A  18
GLY A  20
VAL A 196
ALA A  35
 None
 1.15A 4a6dA-5u4sA:
5.6		 4a6dA-5u4sA:
21.71
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLY A 246
GLY A 248
ILE A 447
PHE A 244
ALA A 162
 None
FAD  A 503 (-3.1A)
None
None
FAD  A 503 (-4.8A)
 0.92A 4a6dA-5vj7A:
undetectable		 4a6dA-5vj7A:
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.
5vyl INNER TEGUMENT
PROTEIN

(Human
alphaherpesvirus
1) 		PF03970
(Herpes_UL37_1) 		5 LEU A 224
GLY A 112
ILE A 140
VAL A 115
ALA A 161
 None
 1.02A 4a6dA-5vylA:
undetectable		 4a6dA-5vylA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w16 GLUTAMATE RACEMASE

(Thermus
thermophilus) 		no annotation 5 PHE A 140
LEU A 172
GLY A 115
GLY A 175
ALA A 134
 None
 1.10A 4a6dA-5w16A:
undetectable		 4a6dA-5w16A:
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.
5w7p OXAC

(Penicillium
oxalicum) 		no annotation 5 PHE A 194
GLY A 244
PHE A 293
ARG A 310
ASP A 314
 SAM  A 501 (-3.7A)
SAM  A 501 ( 3.8A)
SAM  A 501 (-3.3A)
SAM  A 501 (-4.1A)
SAM  A 501 ( 4.2A)
 1.02A 4a6dA-5w7pA:
29.4		 4a6dA-5w7pA:
25.06
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.
5w7p OXAC

(Penicillium
oxalicum) 		no annotation 5 PHE A 194
TYR A 198
VAL A 273
PHE A 293
ASP A 314
 SAM  A 501 (-3.7A)
SAM  A 501 (-4.8A)
SAM  A 501 (-4.8A)
SAM  A 501 (-3.3A)
SAM  A 501 ( 4.2A)
 0.90A 4a6dA-5w7pA:
29.4		 4a6dA-5w7pA:
25.06
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.
5w7p OXAC

(Penicillium
oxalicum) 		no annotation 5 PHE A 194
VAL A 273
PHE A 293
ARG A 310
ASP A 314
 SAM  A 501 (-3.7A)
SAM  A 501 (-4.8A)
SAM  A 501 (-3.3A)
SAM  A 501 (-4.1A)
SAM  A 501 ( 4.2A)
 0.46A 4a6dA-5w7pA:
29.4		 4a6dA-5w7pA:
25.06
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.
5wi5 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 PHE A 406
GLY A 384
ILE A   4
VAL A   6
ALA A 316
 None
 1.02A 4a6dA-5wi5A:
undetectable		 4a6dA-5wi5A:
23.15
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.
5wjc KINETOCHORE PROTEIN
MIS16

(Schizosaccharomyces
pombe) 		no annotation 6 TRP A 210
GLY A 185
GLY A 201
ILE A 237
VAL A 238
ALA A 156
 None
 1.35A 4a6dA-5wjcA:
undetectable		 4a6dA-5wjcA:
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 GLY A 101
ILE A  80
VAL A  97
PHE A 315
ALA A 327
 None
 1.11A 4a6dA-5x1nA:
undetectable		 4a6dA-5x1nA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 5 PHE A1016
LEU A 570
TRP A 574
GLY A 363
ASP A 603
 None
 1.13A 4a6dA-5xgjA:
undetectable		 4a6dA-5xgjA:
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.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 5 PHE A1016
LEU A 570
TRP A 574
GLY A 364
ASP A 603
 None
 0.98A 4a6dA-5xgjA:
undetectable		 4a6dA-5xgjA:
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.
5yal ESTERASE

(Streptomyces
cinnamoneus) 		no annotation 5 GLY A 267
GLY A 294
PHE A 271
ALA A 265
ASP A 262
 None
 0.92A 4a6dA-5yalA:
undetectable		 4a6dA-5yalA:
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.
6c5b METHYLTRANSFERASE

(Lysobacter
antibioticus) 		no annotation 6 PHE A 138
GLY A 182
GLY A 184
VAL A 209
PHE A 233
ASP A 252
 SAH  A 501 ( 3.9A)
SAH  A 501 (-4.0A)
SAH  A 501 (-3.3A)
SAH  A 501 ( 4.9A)
SAH  A 501 (-3.5A)
SAH  A 501 (-4.0A)
 0.55A 4a6dA-6c5bA:
36.0		 4a6dA-6c5bA:
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 LEU A 266
GLY A 191
ILE A  55
VAL A 193
ALA A 183
 None
 1.15A 4a6dA-6cmzA:
undetectable		 4a6dA-6cmzA:
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.
6d7t TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6

(Homo sapiens) 		no annotation 5 PHE A 487
LEU A 428
GLY A 423
ILE A 420
ALA A 467
 None
None
FZ4  A 801 ( 4.0A)
None
FZ4  A 801 ( 4.2A)
 1.07A 4a6dA-6d7tA:
undetectable		 4a6dA-6d7tA:
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 PHE A 696
GLY A 829
GLY A 826
ILE A 699
ALA A 833
 None
 1.04A 4a6dA-6fn1A:
undetectable		 4a6dA-6fn1A:
undetectable