SIMILAR PATTERNS OF AMINO ACIDS FOR 4A6E_A_SAMA1349_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)
1.17A 4a6eA-1ahiA:
4.4
4a6eA-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.
1avb ARCELIN-1

(Phaseolus
vulgaris)
PF00139
(Lectin_legB)
5 PHE A  65
GLY A 199
ILE A  52
VAL A 196
ALA A  86
None
1.08A 4a6eA-1avbA:
undetectable
4a6eA-1avbA:
23.28
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.
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 4a6eA-1c0iA:
undetectable
4a6eA-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.
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
1.00A 4a6eA-1ioaA:
undetectable
4a6eA-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.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE


(Thermococcus
litoralis)
PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926)
5 GLY A   9
ILE A 177
VAL A 143
PHE A 211
ASP A 214
None
1.16A 4a6eA-1k1xA:
undetectable
4a6eA-1k1xA:
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.
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
1.14A 4a6eA-1kc8R:
undetectable
4a6eA-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
1.14A 4a6eA-1o5tA:
undetectable
4a6eA-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.
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
1.02A 4a6eA-1tkcA:
2.9
4a6eA-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
1.16A 4a6eA-1tz6A:
3.2
4a6eA-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.
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
1.03A 4a6eA-1uanA:
2.6
4a6eA-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
1.14A 4a6eA-1uc8A:
undetectable
4a6eA-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
0.93A 4a6eA-1wy6A:
undetectable
4a6eA-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
1.00A 4a6eA-1wzzA:
undetectable
4a6eA-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.
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
1.14A 4a6eA-1ys9A:
undetectable
4a6eA-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
1.01A 4a6eA-2c7zA:
undetectable
4a6eA-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.
2d3a GLUTAMINE SYNTHETASE

(Zea mays)
PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N)
5 GLY A  61
GLY A  57
ILE A 102
VAL A  70
ASP A  32
None
1.14A 4a6eA-2d3aA:
undetectable
4a6eA-2d3aA:
21.84
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.
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
0.97A 4a6eA-2dr3A:
undetectable
4a6eA-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
1.07A 4a6eA-2g28A:
undetectable
4a6eA-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
1.16A 4a6eA-2gh9A:
undetectable
4a6eA-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.
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 4a6eA-2ji9A:
3.3
4a6eA-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
1.09A 4a6eA-2o0xA:
undetectable
4a6eA-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
0.98A 4a6eA-2o3cA:
undetectable
4a6eA-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
1.13A 4a6eA-2og9A:
undetectable
4a6eA-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.
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 4a6eA-2q27A:
3.1
4a6eA-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
1.16A 4a6eA-2qm1A:
undetectable
4a6eA-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.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula)
PF00891
(Methyltransf_2)
PF08100
(Dimerisation)
5 GLY A 201
GLY A 203
VAL A 228
ASP A 263
TRP A 264
SAH  A 601 (-3.7A)
SAH  A 601 ( 3.8A)
SAH  A 601 ( 4.9A)
QSO  A 701 (-3.9A)
None
0.62A 4a6eA-2qyoA:
23.7
4a6eA-2qyoA:
28.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.15A 4a6eA-3a5rA:
undetectable
4a6eA-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.
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)
1.01A 4a6eA-3c3yA:
11.1
4a6eA-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.
3ec4 PUTATIVE
ACETYLTRANSFERASE
FROM THE GNAT FAMILY


(Novosphingobium
aromaticivorans)
PF08445
(FR47)
5 LEU A 103
GLY A 161
GLY A 147
ILE A 178
VAL A 181
None
1.11A 4a6eA-3ec4A:
undetectable
4a6eA-3ec4A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gxo MMCR

(Streptomyces
lavendulae)
PF00891
(Methyltransf_2)
6 GLY A 190
GLY A 192
VAL A 217
PHE A 241
ASP A 260
TRP A 261
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)
None
0.62A 4a6eA-3gxoA:
33.5
4a6eA-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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus)
PF00891
(Methyltransf_2)
5 GLY A 177
GLY A 179
PHE A 228
ASP A 247
TRP A 248
SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.4A)
SAH  A 401 (-4.6A)
None
0.69A 4a6eA-3i58A:
29.4
4a6eA-3i58A:
27.39
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.
3i9f PUTATIVE TYPE 11
METHYLTRANSFERASE


(Sulfolobus
solfataricus)
PF08241
(Methyltransf_11)
5 GLY A  39
GLY A  41
ILE A  61
ALA A  96
ASP A 101
None
1.12A 4a6eA-3i9fA:
11.9
4a6eA-3i9fA:
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.
3iwg ACETYLTRANSFERASE,
GNAT FAMILY


(Colwellia
psychrerythraea)
PF00583
(Acetyltransf_1)
5 GLY A 181
GLY A 192
ILE A 138
VAL A 224
ALA A 143
None
None
CL  A 603 (-4.3A)
None
None
1.17A 4a6eA-3iwgA:
undetectable
4a6eA-3iwgA:
21.01
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.
3krs TRIOSEPHOSPHATE
ISOMERASE


(Cryptosporidium
parvum)
PF00121
(TIM)
5 PHE A  61
GLY A   9
GLY A   8
PHE A  11
ALA A 236
None
1.09A 4a6eA-3krsA:
undetectable
4a6eA-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.
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
1.13A 4a6eA-3kv1A:
undetectable
4a6eA-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.
3lst CALO1
METHYLTRANSFERASE


(Micromonospora
echinospora)
PF00891
(Methyltransf_2)
5 GLY A 189
GLY A 191
VAL A 216
PHE A 238
TRP A 257
SAH  A 346 (-4.0A)
SAH  A 346 ( 3.7A)
None
SAH  A 346 (-3.4A)
None
0.75A 4a6eA-3lstA:
28.3
4a6eA-3lstA:
26.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n29 CARBOXYNORSPERMIDINE
DECARBOXYLASE


(Campylobacter
jejuni)
PF00278
(Orn_DAP_Arg_deC)
5 LEU A  38
GLY A  42
ILE A 344
VAL A 345
ALA A 237
None
1.05A 4a6eA-3n29A:
undetectable
4a6eA-3n29A:
23.92
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.
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
1.00A 4a6eA-3pv2A:
undetectable
4a6eA-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.
3q2k OXIDOREDUCTASE

(Bordetella
pertussis)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
5 GLY A 259
GLY A 151
ILE A 254
ALA A 277
TRP A 274
None
1.15A 4a6eA-3q2kA:
4.6
4a6eA-3q2kA:
22.81
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.
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
1.03A 4a6eA-3sg1A:
undetectable
4a6eA-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
1.04A 4a6eA-3stiA:
undetectable
4a6eA-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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE


(Streptomyces
coelicolor)
PF00195
(Chal_sti_synt_N)
5 LEU A 389
TRP A 388
GLY A 367
ALA A 370
ASP A 247
None
1.12A 4a6eA-3v7iA:
undetectable
4a6eA-3v7iA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wcs ERYTHROAGGLUTININ

(Phaseolus
vulgaris)
PF00139
(Lectin_legB)
5 PHE A  89
GLY A 229
ILE A  76
VAL A 226
ALA A 110
None
None
EDO  A1009 (-4.2A)
None
None
1.14A 4a6eA-3wcsA:
undetectable
4a6eA-3wcsA:
20.11
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.
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
1.10A 4a6eA-3wxrG:
undetectable
4a6eA-3wxrG:
23.32
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.
3zdn MONOAMINE OXIDASE N

(Aspergillus
niger)
PF01593
(Amino_oxidase)
5 GLY A  47
GLY A  51
VAL A  44
PHE A 275
ALA A 258
FAD  A1487 (-4.2A)
None
None
None
None
1.17A 4a6eA-3zdnA:
undetectable
4a6eA-3zdnA:
21.05
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)
5 LEU A 160
GLY A 188
VAL A 214
ALA A 251
ARG A 252
SAM  A1349 (-4.1A)
SAM  A1349 ( 4.0A)
SAM  A1349 (-4.9A)
SAM  A1349 (-3.7A)
SAM  A1349 ( 3.8A)
1.14A 4a6eA-4a6eA:
55.0
4a6eA-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
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
TRP A 257
SAM  A1349 (-3.8A)
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)
None
0.02A 4a6eA-4a6eA:
55.0
4a6eA-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)
9 PHE A 143
LEU A 160
TRP A 164
GLY A 188
ILE A 211
PHE A 237
ARG A 252
ASP A 256
TRP A 257
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)
None
0.94A 4a6eA-4a6eA:
55.0
4a6eA-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.
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
1.14A 4a6eA-4c7vA:
3.5
4a6eA-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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris)
PF01979
(Amidohydro_1)
5 PHE A 154
GLY A  73
ILE A 414
VAL A 412
ALA A 355
None
1.04A 4a6eA-4dzhA:
undetectable
4a6eA-4dzhA:
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E


(Linum
nodiflorum)
PF00891
(Methyltransf_2)
PF08100
(Dimerisation)
5 GLY A 208
GLY A 210
VAL A 235
ASP A 272
TRP A 273
SAH  A 401 (-3.6A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-4.8A)
C9M  A 402 ( 2.3A)
None
0.29A 4a6eA-4eviA:
34.0
4a6eA-4eviA:
27.63
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.
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)
1.02A 4a6eA-4g4iA:
undetectable
4a6eA-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 4a6eA-4hdsA:
undetectable
4a6eA-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
1.06A 4a6eA-4hu8A:
undetectable
4a6eA-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
1.10A 4a6eA-4jotA:
undetectable
4a6eA-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.
4m3c LECTIN BETA CHAIN

(Butea
monosperma)
PF00139
(Lectin_legB)
5 PHE B  70
GLY B 211
ILE B  57
VAL B 208
ALA B  91
None
None
ABU  B 303 (-3.7A)
None
None
1.11A 4a6eA-4m3cB:
undetectable
4a6eA-4m3cB:
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.
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
1.13A 4a6eA-4mo2B:
2.4
4a6eA-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.
4ntd THIOREDOXIN
REDUCTASE


(Streptomyces
clavuligerus)
PF07992
(Pyr_redox_2)
5 PHE A  79
LEU A  25
GLY A  17
GLY A  20
VAL A  13
None
None
FAD  A 402 (-3.5A)
None
None
1.12A 4a6eA-4ntdA:
undetectable
4a6eA-4ntdA:
22.55
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.
4otd SERINE/THREONINE-PRO
TEIN KINASE N1


(Homo sapiens)
PF00069
(Pkinase)
PF00433
(Pkinase_C)
5 GLY A 773
GLY A 771
ARG A 745
ASP A 803
TRP A 804
None
None
TPO  A 780 ( 2.8A)
None
None
1.09A 4a6eA-4otdA:
undetectable
4a6eA-4otdA:
23.59
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.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE


(Sorghum bicolor)
PF00891
(Methyltransf_2)
PF08100
(Dimerisation)
5 GLY A 206
GLY A 208
VAL A 233
ASP A 268
TRP A 269
SAM  A 401 (-3.8A)
SAM  A 401 ( 4.1A)
SAM  A 401 ( 4.9A)
None
None
0.63A 4a6eA-4pghA:
30.7
4a6eA-4pghA:
26.22
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.
4rep GAMMA-CAROTENE
DESATURASE


(Nonlabens
dokdonensis)
PF01593
(Amino_oxidase)
5 PHE A 241
LEU A  18
GLY A  10
GLY A  13
VAL A   6
None
None
FAD  A 501 (-3.4A)
None
None
0.96A 4a6eA-4repA:
3.2
4a6eA-4repA:
21.84
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.
4rnc ESTERASE

(Rhodococcus sp.
ECU1013)
PF12697
(Abhydrolase_6)
5 GLY A  80
ILE A  14
VAL A  85
ALA A 113
TRP A  78
None
1.09A 4a6eA-4rncA:
undetectable
4a6eA-4rncA:
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.
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
1.07A 4a6eA-4s3kA:
undetectable
4a6eA-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.
4u36 SEED LECTIN

(Vatairea
macrocarpa)
PF00139
(Lectin_legB)
5 PHE A  69
GLY A 206
ILE A  56
VAL A 203
ALA A  90
None
1.10A 4a6eA-4u36A:
undetectable
4a6eA-4u36A:
19.71
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.
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
1.01A 4a6eA-4yknA:
undetectable
4a6eA-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
1.04A 4a6eA-4yshA:
2.3
4a6eA-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.
5awp ISOMALTODEXTRANASE

(Arthrobacter
globiformis)
no annotation 5 LEU A 584
GLY A 303
GLY A 305
ILE A 308
ALA A 477
None
1.14A 4a6eA-5awpA:
undetectable
4a6eA-5awpA:
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.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE


(Clarkia breweri)
PF00891
(Methyltransf_2)
PF08100
(Dimerisation)
5 GLY A 211
GLY A 213
VAL A 238
ASP A 273
TRP A 274
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.7A)
None
N7I  A 402 ( 2.7A)
None
0.39A 4a6eA-5cvvA:
35.2
4a6eA-5cvvA:
25.94
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.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens)
no annotation 5 LEU C 185
ILE C  17
VAL C 251
PHE C  30
ALA C 362
None
1.12A 4a6eA-5elpC:
undetectable
4a6eA-5elpC:
20.41
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.
5h5l GLUTATHIONE
S-TRANSFERASE S2


(Nilaparvata
lugens)
PF02798
(GST_N)
PF14497
(GST_C_3)
5 PHE A  29
GLY A  15
ALA A  12
ARG A 197
ASP A  31
None
1.14A 4a6eA-5h5lA:
undetectable
4a6eA-5h5lA:
17.78
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.
5hj7 GLUTAMATE RACEMASE

(Mycobacterium
tuberculosis)
PF01177
(Asp_Glu_race)
5 PHE A 148
LEU A 181
GLY A 118
GLY A 184
ALA A 142
None
1.10A 4a6eA-5hj7A:
undetectable
4a6eA-5hj7A:
20.33
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2


(Planctopirus
limnophila)
PF00891
(Methyltransf_2)
PF16864
(Dimerisation2)
5 LEU A 162
GLY A 202
VAL A 228
ASP A 271
TRP A 272
None
None
None
AGI  A 501 (-2.4A)
None
0.81A 4a6eA-5i2hA:
22.0
4a6eA-5i2hA:
27.63
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2


(Planctopirus
limnophila)
PF00891
(Methyltransf_2)
PF16864
(Dimerisation2)
5 LEU A 162
GLY A 203
VAL A 228
ASP A 271
TRP A 272
None
None
None
AGI  A 501 (-2.4A)
None
0.71A 4a6eA-5i2hA:
22.0
4a6eA-5i2hA:
27.63
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.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum)
no annotation 5 LEU B 191
GLY B  36
ILE B 300
VAL B 212
ALA B  38
None
0.90A 4a6eA-5i70B:
undetectable
4a6eA-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
1.08A 4a6eA-5iclA:
undetectable
4a6eA-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
0.92A 4a6eA-5jfcL:
3.2
4a6eA-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
1.12A 4a6eA-5jiaA:
undetectable
4a6eA-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
1.13A 4a6eA-5jiuA:
undetectable
4a6eA-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 4a6eA-5jltA:
undetectable
4a6eA-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.
5jr3 CARMINOMYCIN
4-O-METHYLTRANSFERAS
E DNRK


(Streptomyces
peucetius)
PF00891
(Methyltransf_2)
5 LEU A 160
GLY A 187
GLY A 189
PHE A 238
TRP A 258
SAH  A 401 (-4.1A)
SAH  A 401 (-3.9A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-3.4A)
None
0.66A 4a6eA-5jr3A:
32.2
4a6eA-5jr3A:
29.01
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.
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)
1.00A 4a6eA-5kvaA:
11.3
4a6eA-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.
5kxb WISTERIA FLORIBUNDA
AGGLUTININ


(Wisteria
floribunda)
PF00139
(Lectin_legB)
5 PHE A  99
GLY A 238
ILE A  86
VAL A 235
ALA A 120
None
1.11A 4a6eA-5kxbA:
undetectable
4a6eA-5kxbA:
17.60
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.
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
1.17A 4a6eA-5l10A:
undetectable
4a6eA-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.
5lf7 PROTEASOME SUBUNIT
BETA TYPE-1


(Homo sapiens)
PF00227
(Proteasome)
5 LEU L  46
GLY L 111
ILE L  12
VAL L  23
ALA L  89
None
1.05A 4a6eA-5lf7L:
undetectable
4a6eA-5lf7L:
21.75
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.
5vj4 UNCHARACTERIZED
PROTEIN


(Borrelia
turicatae)
no annotation 5 LEU A 230
GLY A 234
ILE A 240
PHE A 294
ALA A 288
None
1.11A 4a6eA-5vj4A:
undetectable
4a6eA-5vj4A:
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.
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)
0.94A 4a6eA-5vj7A:
2.8
4a6eA-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
1.04A 4a6eA-5vylA:
undetectable
4a6eA-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
1.09A 4a6eA-5w16A:
undetectable
4a6eA-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 6 PHE A 194
GLY A 244
PHE A 293
ARG A 310
ASP A 314
TRP A 315
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)
None
1.13A 4a6eA-5w7pA:
29.0
4a6eA-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 6 PHE A 194
VAL A 273
PHE A 293
ARG A 310
ASP A 314
TRP A 315
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)
None
0.61A 4a6eA-5w7pA:
29.0
4a6eA-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.
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 4a6eA-5wjcA:
undetectable
4a6eA-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
1.08A 4a6eA-5x1nA:
undetectable
4a6eA-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.
5x8o INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Trypanosoma
brucei)
no annotation 5 LEU A 230
GLY A  73
ILE A 349
VAL A  50
ALA A 253
None
1.12A 4a6eA-5x8oA:
undetectable
4a6eA-5x8oA:
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
1.01A 4a6eA-5xgjA:
undetectable
4a6eA-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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE


(Peucedanum
praeruptorum)
no annotation 5 PHE A 158
GLY A 203
GLY A 205
VAL A 230
TRP A 266
SAH  A 401 ( 3.6A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.7A)
None
None
0.55A 4a6eA-5xohA:
33.3
4a6eA-5xohA:
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
0.93A 4a6eA-5yalA:
undetectable
4a6eA-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.
5yo8 TETRAPRENYL-BETA-CUR
CUMENE SYNTHASE


(Bacillus
alcalophilus)
no annotation 5 LEU A  64
GLY A  58
GLY A  60
VAL A  22
PHE A  54
None
1.02A 4a6eA-5yo8A:
undetectable
4a6eA-5yo8A:
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 7 PHE A 138
GLY A 182
GLY A 184
VAL A 209
PHE A 233
ASP A 252
TRP A 253
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)
None
0.58A 4a6eA-6c5bA:
35.8
4a6eA-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
1.12A 4a6eA-6cmzA:
2.8
4a6eA-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.
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
1.12A 4a6eA-6fn1A:
undetectable
4a6eA-6fn1A:
undetectable