SIMILAR PATTERNS OF AMINO ACIDS FOR 3VYW_C_SAMC401_1

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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 GLY A 641
GLU A 640
ASP A 568
ASN A 448
 None
None
FLC  A 756 ( 4.7A)
None
 0.91A 3vywC-1b0kA:
undetectable		 3vywC-1b0kA:
18.64
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.
1b7g PROTEIN
(GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE)

(Sulfolobus
solfataricus) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 GLY O   8
ASP O  73
ASP O  83
GLU O  72
 None
 1.05A 3vywC-1b7gO:
undetectable		 3vywC-1b7gO:
21.17
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.
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli) 		PF00701
(DHDPS) 		4 GLY A  41
ASP A 203
ASP A 101
ASN A   4
 None
 0.98A 3vywC-1hl2A:
undetectable		 3vywC-1hl2A:
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.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		4 GLY A 109
GLU A 131
ASP A 161
ASP A 178
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
 0.66A 3vywC-1i9gA:
12.0		 3vywC-1i9gA:
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.
1iwa RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Galdieria
partita) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLY A 337
ASP A 476
ASN A 310
GLU A 136
 None
 0.99A 3vywC-1iwaA:
undetectable		 3vywC-1iwaA:
21.93
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 GLU A 216
ASP A 251
ASP A 274
GLU A 282
 None
None
SO4  A 483 (-4.5A)
None
 1.06A 3vywC-1k7hA:
undetectable		 3vywC-1k7hA:
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.
1khh GUANIDINOACETATE
METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 GLY A  69
GLU A  89
ASP A 134
GLU A 117
 SAH  A 236 (-3.2A)
SAH  A 236 (-2.8A)
SAH  A 236 (-3.4A)
SAH  A 236 (-3.3A)
 0.71A 3vywC-1khhA:
8.8		 3vywC-1khhA:
21.66
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 GLY A 375
GLU A 301
ASP A 273
ASP A 371
 None
 0.85A 3vywC-1lrwA:
undetectable		 3vywC-1lrwA:
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A  84
GLU A 104
ASP A 141
ASP A 158
 None
 0.80A 3vywC-1mjfA:
15.3		 3vywC-1mjfA:
26.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 GLY A 352
GLU A 288
ASP A 208
GLU A 491
 None
None
None
IFG  A 557 (-3.2A)
 1.06A 3vywC-1nowA:
undetectable		 3vywC-1nowA:
23.30
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.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		4 GLY A 110
GLU A 132
ASP A 160
ASP A 176
 None
 0.43A 3vywC-1o54A:
12.1		 3vywC-1o54A:
25.60
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 GLY A 401
ASP A 445
ASP A 419
ASN A 429
 None
None
ADP  A1731 (-2.7A)
None
 0.98A 3vywC-1o94A:
undetectable		 3vywC-1o94A:
17.19
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.
1or8 PROTEIN ARGININE
N-METHYLTRANSFERASE
1

(Rattus
norvegicus) 		PF13649
(Methyltransf_25) 		4 GLY A  80
GLU A 100
ASP A  76
GLU A 129
 SAH  A 354 (-3.6A)
SAH  A 354 (-2.5A)
SAH  A 354 ( 3.9A)
SAH  A 354 (-3.7A)
 0.86A 3vywC-1or8A:
6.5		 3vywC-1or8A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1prn PORIN

(Rhodobacter
blasticus) 		PF13609
(Porin_4) 		4 GLY A 186
GLU A 163
ASP A  86
ASN A 118
 None
 1.06A 3vywC-1prnA:
undetectable		 3vywC-1prnA:
21.74
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.
1qd6 PROTEIN (OUTER
MEMBRANE
PHOSPHOLIPASE
(OMPLA))

(Escherichia
coli) 		PF02253
(PLA1) 		4 ASP C 251
ASP C 149
ASN C 145
GLU C 111
 None
 0.98A 3vywC-1qd6C:
undetectable		 3vywC-1qd6C:
22.68
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.
1qxo CHORISMATE SYNTHASE

(Streptococcus
pneumoniae) 		PF01264
(Chorismate_synt) 		4 GLY A  42
ASP A  35
ASN A 159
GLU A 351
 None
 0.82A 3vywC-1qxoA:
undetectable		 3vywC-1qxoA:
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.
1r18 PROTEIN-L-ISOASPARTA
TE(D-ASPARTATE)-O-ME
THYLTRANSFERASE

(Drosophila
melanogaster) 		PF01135
(PCMT) 		4 GLY A  88
GLU A 115
ASP A 147
ASP A  84
 SAH  A 300 (-3.2A)
SAH  A 300 (-2.9A)
SAH  A 300 (-3.6A)
SAH  A 300 ( 4.9A)
 0.95A 3vywC-1r18A:
8.3		 3vywC-1r18A:
21.18
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.
1vqu ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Nostoc sp. PCC
7120) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 GLY A 253
GLU A 245
ASP A 248
ASN A 317
 None
 1.06A 3vywC-1vquA:
undetectable		 3vywC-1vquA:
23.62
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		4 GLY A  59
GLU A  79
ASP A 105
ASP A  55
 SAH  A1001 (-3.3A)
SAH  A1001 (-2.8A)
SAH  A1001 (-3.2A)
SAH  A1001 ( 4.5A)
 0.95A 3vywC-1wy7A:
10.6		 3vywC-1wy7A:
23.25
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.
1xcj GUANIDINOACETATE
N-METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 GLY A  69
GLU A  89
ASP A 134
GLU A 117
 SAH  A 236 (-3.3A)
SAH  A 236 (-2.9A)
NMG  A 237 ( 3.0A)
SAH  A 236 (-3.2A)
 0.69A 3vywC-1xcjA:
12.5		 3vywC-1xcjA:
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 130
GLU A 151
ASP A 182
ASP A 201
 None
 0.75A 3vywC-1xj5A:
15.0		 3vywC-1xj5A:
24.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjc AMINOPEPTIDASE AMPS

(Staphylococcus
aureus) 		PF02073
(Peptidase_M29) 		4 GLY A 277
ASP A  61
ASP A 109
GLU A  35
 None
 1.00A 3vywC-1zjcA:
undetectable		 3vywC-1zjcA:
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.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		4 GLY A 113
GLU A 135
ASP A 173
ASP A 192
 SAM  A 601 (-3.2A)
SAM  A 601 (-2.9A)
SAM  A 601 (-3.4A)
SAM  A 601 (-3.5A)
 0.58A 3vywC-2b25A:
11.3		 3vywC-2b25A:
19.49
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.
2bhn XPF ENDONUCLEASE

(Aeropyrum
pernix) 		PF02732
(ERCC4)
PF14520
(HHH_5) 		4 GLY A  51
GLU A  62
ASP A  68
ASP A  24
 None
 0.95A 3vywC-2bhnA:
undetectable		 3vywC-2bhnA:
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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 GLY A1278
ASP A  53
ASN A  36
GLU A1163
 None
 0.97A 3vywC-2boaA:
undetectable		 3vywC-2boaA:
20.76
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.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLY A  12
ASP A 162
ASP A  10
GLU A 175
 ADP  A1482 ( 4.0A)
None
None
None
 1.03A 3vywC-2cgjA:
undetectable		 3vywC-2cgjA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 GLY A 375
GLU A 301
ASP A 273
ASP A 371
 None
 0.91A 3vywC-2d0vA:
undetectable		 3vywC-2d0vA:
17.97
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 GLY N 352
GLU M 288
ASP M 208
GLU N 491
 None
 1.00A 3vywC-2gk1N:
undetectable		 3vywC-2gk1N:
21.94
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.
2j7p CELL DIVISION
PROTEIN FTSY

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 GLY D 146
ASP D 168
ASP D 191
GLU D 205
 None
None
MG  D1401 ( 4.0A)
None
 0.87A 3vywC-2j7pD:
3.2		 3vywC-2j7pD:
25.84
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.
2oo3 PROTEIN INVOLVED IN
CATABOLISM OF
EXTERNAL DNA

(Legionella
pneumophila) 		PF04378
(RsmJ) 		4 GLY A  44
GLU A 119
ASP A 144
ASP A 165
 None
 1.06A 3vywC-2oo3A:
6.7		 3vywC-2oo3A:
25.00
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 126
GLU A 147
ASP A 178
ASP A 196
 S4M  A 501 ( 4.4A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.3A)
S4M  A 501 (-2.6A)
 0.77A 3vywC-2pt6A:
13.4		 3vywC-2pt6A:
22.39
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		5 GLY A  88
GLU A 121
ASP A 176
ASP A 198
ASN A 205
 None
 0.67A 3vywC-2qy6A:
23.3		 3vywC-2qy6A:
24.63
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.
2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E

(Escherichia
coli) 		PF01370
(Epimerase) 		4 GLY A 236
ASP A 216
ASN A 221
GLU A  75
 None
 1.05A 3vywC-2x86A:
3.0		 3vywC-2x86A:
23.66
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.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		4 GLY A 101
GLU A 120
ASP A 148
ASP A 165
 SAM  A 601 (-3.5A)
SAM  A 601 (-2.7A)
SAM  A 601 (-3.1A)
SAM  A 601 (-3.4A)
 0.76A 3vywC-2yvlA:
11.0		 3vywC-2yvlA:
23.64
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.
2zds PUTATIVE DNA-BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF01261
(AP_endonuc_2)
PF07582
(AP_endonuc_2_N) 		4 GLY A 132
GLU A 183
ASP A 209
GLU A 294
 None
 1.06A 3vywC-2zdsA:
undetectable		 3vywC-2zdsA:
24.10
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A  86
GLU A 107
ASP A 144
ASP A 161
 None
None
None
AG3  A1001 (-2.8A)
 0.70A 3vywC-2zsuA:
15.8		 3vywC-2zsuA:
27.10
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		4 GLY A 243
GLU A 262
ASP A 288
ASP A 239
 SAH  A 376 (-3.4A)
SAH  A 376 (-2.7A)
SAH  A 376 (-4.1A)
SAH  A 376 ( 4.2A)
 0.89A 3vywC-2zwvA:
8.9		 3vywC-2zwvA:
24.32
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		4 GLY A1150
GLU A1171
ASP A1193
ASP A1146
 SAM  A   1 ( 3.9A)
SAM  A   1 (-2.6A)
SAM  A   1 (-3.6A)
SAM  A   1 ( 4.7A)
 0.87A 3vywC-3av6A:
6.7		 3vywC-3av6A:
13.70
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 200
GLU A 220
ASP A 255
ASP A 276
 MTA  A 401 (-3.7A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.6A)
SPM  A 501 ( 3.2A)
 0.69A 3vywC-3c6mA:
14.7		 3vywC-3c6mA:
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.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 GLY A 329
GLU A 330
ASN A 348
GLU A 367
 None
 1.06A 3vywC-3fefA:
4.8		 3vywC-3fefA:
24.50
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		4 GLY A   9
GLU A  29
ASP A  51
ASP A   5
 None
 0.96A 3vywC-3g7uA:
6.7		 3vywC-3g7uA:
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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 GLY A 295
ASP A 279
ASP A 344
GLU A 271
 GLY  A 295 ( 0.0A)
ASP  A 279 ( 0.6A)
ASP  A 344 ( 0.6A)
GLU  A 271 ( 0.6A)
 0.97A 3vywC-3gnrA:
undetectable		 3vywC-3gnrA:
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.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 GLY A 396
ASP A 399
ASN A 305
GLU A 333
 None
None
NA  A   1 (-3.9A)
None
 1.01A 3vywC-3gq9A:
undetectable		 3vywC-3gq9A:
18.70
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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 164
ASP A 224
ASP A 339
GLU A 227
 None
 0.79A 3vywC-3gyrA:
undetectable		 3vywC-3gyrA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iht S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE

(Ruegeria
pomeroyi) 		PF12692
(Methyltransf_17) 		4 GLY A  49
GLU A  70
ASP A  90
ASP A 112
 SAM  A 200 (-3.2A)
SAM  A 200 (-2.7A)
SAM  A 200 (-3.2A)
SAM  A 200 (-3.7A)
 0.61A 3vywC-3ihtA:
11.5		 3vywC-3ihtA:
21.22
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.
3j0c E2 ENVELOPE
GLYCOPROTEIN

(Venezuelan
equine
encephalitis
virus) 		PF00943
(Alpha_E2_glycop) 		4 GLY B  63
ASP B  56
ASN B   7
GLU B   8
 None
 1.06A 3vywC-3j0cB:
undetectable		 3vywC-3j0cB:
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 GLY A  98
GLU A  99
ASP A  78
GLU A 185
 ADP  A 873 (-3.5A)
None
None
None
 1.06A 3vywC-3juxA:
2.8		 3vywC-3juxA:
18.83
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.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		4 GLY A 103
GLU A 125
ASP A 153
ASP A 169
 SAH  A 301 (-3.5A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.6A)
 0.72A 3vywC-3lgaA:
11.4		 3vywC-3lgaA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lpm PUTATIVE
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF05175
(MTS) 		4 GLY A  59
GLU A  79
ASP A 107
ASP A  55
 None
 0.90A 3vywC-3lpmA:
11.1		 3vywC-3lpmA:
23.36
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.
3mkv PUTATIVE
AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 GLY A 322
GLU A 336
ASP A 324
ASN A 254
 None
None
ZN  A 425 (-2.6A)
None
 1.03A 3vywC-3mkvA:
undetectable		 3vywC-3mkvA:
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.
3n2c PROLIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 GLY A 319
GLU A 333
ASP A 321
ASN A 251
 None
None
ZN  A 425 ( 2.9A)
None
 0.93A 3vywC-3n2cA:
undetectable		 3vywC-3n2cA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ohg UNCHARACTERIZED
PROTEIN FROM DUF2233
FAMILY

(Bacteroides
ovatus) 		PF09992
(NAGPA) 		4 GLY A 170
GLU A 171
ASP A 227
ASN A  86
 None
EDO  A 419 ( 3.7A)
None
EDO  A 419 (-3.9A)
 0.95A 3vywC-3ohgA:
undetectable		 3vywC-3ohgA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3orh GUANIDINOACETATE
N-METHYLTRANSFERASE

(Homo sapiens) 		no annotation 4 GLY A  70
GLU A  90
ASP A 135
GLU A 118
 SAH  A4000 (-3.3A)
SAH  A4000 (-2.7A)
SAH  A4000 (-3.7A)
SAH  A4000 (-3.2A)
 0.70A 3vywC-3orhA:
12.4		 3vywC-3orhA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oth CALG1

(Micromonospora
echinospora) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		4 GLY A 246
ASP A 334
ASP A 344
ASN A 340
 None
 0.99A 3vywC-3othA:
2.2		 3vywC-3othA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  68
GLU A 101
ASP A 156
ASP A 178
ASN A 185
 SAM  A 670 (-3.2A)
SAM  A 670 (-2.6A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.4A)
SAM  A 670 ( 4.1A)
 0.56A 3vywC-3ps9A:
22.5		 3vywC-3ps9A:
19.07
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		4 GLY A1147
GLU A1168
ASP A1190
ASP A1143
 SAH  A1601 (-3.5A)
SAH  A1601 (-3.0A)
SAH  A1601 ( 4.7A)
None
 0.85A 3vywC-3ptaA:
7.5		 3vywC-3ptaA:
16.18
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 GLY A  68
GLU A 101
ASP A 156
ASP A 178
 None
 0.41A 3vywC-3pvcA:
20.2		 3vywC-3pvcA:
17.72
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.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		4 GLY A  60
GLU A  79
ASP A 101
ASP A  56
 SAH  A 263 (-3.3A)
SAH  A 263 (-2.7A)
SAH  A 263 (-3.5A)
None
 1.01A 3vywC-3px2A:
9.5		 3vywC-3px2A:
21.85
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.
3r0q PROBABLE PROTEIN
ARGININE
N-METHYLTRANSFERASE
4.2

(Arabidopsis
thaliana) 		no annotation 4 GLY C  80
GLU C 100
ASP C  76
GLU C 129
 SAH  C   1 ( 3.7A)
SAH  C   1 (-3.0A)
SAH  C   1 ( 4.5A)
SAH  C   1 (-3.4A)
 0.77A 3vywC-3r0qC:
6.0		 3vywC-3r0qC:
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.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 103
GLU A 124
ASP A 155
ASP A 173
 DSH  A 303 (-3.5A)
DSH  A 303 (-2.6A)
DSH  A 303 (-3.5A)
DSH  A 303 (-3.0A)
 0.73A 3vywC-3rw9A:
13.4		 3vywC-3rw9A:
22.29
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		4 GLY A 295
ASP A 285
ASN A 334
GLU A 281
 SAH  A 900 ( 3.7A)
None
EDO  A 906 ( 3.7A)
None
 0.95A 3vywC-3s1sA:
9.0		 3vywC-3s1sA:
16.78
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.
3tt0 BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 GLY A 697
GLU A 692
ASP A 623
ASN A 659
 None
 1.05A 3vywC-3tt0A:
undetectable		 3vywC-3tt0A:
22.42
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.
3vsz RICIN B LECTIN

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43)
PF14200
(RicinB_lectin_2) 		4 GLY A 138
GLU A 132
ASN A 200
GLU A 229
 None
 1.00A 3vywC-3vszA:
undetectable		 3vywC-3vszA:
19.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		4 GLY A 106
GLU A 133
ASP A 174
ASP A 102
 SAM  A 501 (-3.3A)
SAM  A 501 (-2.3A)
SAM  A 501 (-3.4A)
SAM  A 501 ( 4.9A)
 1.02A 3vywC-3vywA:
50.3		 3vywC-3vywA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		6 GLY A 106
GLU A 133
ASP A 174
ASP A 193
ASN A 200
GLU A 202
 SAM  A 501 (-3.3A)
SAM  A 501 (-2.3A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.2A)
SAM  A 501 (-4.2A)
 0.28A 3vywC-3vywA:
50.3		 3vywC-3vywA:
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.
4blu RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Escherichia
coli) 		PF04378
(RsmJ) 		4 GLY A  44
GLU A 118
ASP A 143
ASP A 164
 EDO  A1284 ( 4.7A)
None
None
TRS  A1281 ( 3.0A)
 1.05A 3vywC-4bluA:
8.1		 3vywC-4bluA:
21.21
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.
4ej0 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E

(Burkholderia
thailandensis) 		PF01370
(Epimerase) 		4 GLY A 241
ASP A 220
ASN A 225
GLU A  75
 None
 1.03A 3vywC-4ej0A:
4.2		 3vywC-4ej0A:
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.
4hgx XYLOSE ISOMERASE
DOMAIN CONTAINING
PROTEIN

(Salmonella
enterica) 		PF01261
(AP_endonuc_2) 		4 GLY A 136
ASP A 170
ASN A  71
GLU A 245
 None
ZN  A 301 (-3.0A)
None
ZN  A 301 (-2.1A)
 1.05A 3vywC-4hgxA:
undetectable		 3vywC-4hgxA:
23.66
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.
4kkj TRANSCOBALAMIN-1

(Homo sapiens) 		PF01122
(Cobalamin_bind)
PF14478
(DUF4430) 		4 GLY A 165
ASP A 127
ASP A 163
ASN A 120
 None
None
CBY  A 508 (-2.7A)
CBY  A 508 (-3.3A)
 1.01A 3vywC-4kkjA:
undetectable		 3vywC-4kkjA:
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.
4lwo ARGININE
N-METHYLTRANSFERASE,
PUTATIVE

(Trypanosoma
brucei) 		no annotation 4 GLY B  64
GLU B  84
ASP B  60
GLU B 113
 None
 0.98A 3vywC-4lwoB:
5.5		 3vywC-4lwoB:
24.10
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.
4qpp PROTEIN ARGININE
N-METHYLTRANSFERASE
6

(Homo sapiens) 		PF13649
(Methyltransf_25) 		4 GLY A  92
GLU A 112
ASP A  88
GLU A 141
 SAH  A1000 ( 3.7A)
SAH  A1000 (-2.7A)
SAH  A1000 ( 4.2A)
SAH  A1000 (-3.3A)
 0.87A 3vywC-4qppA:
6.3		 3vywC-4qppA:
23.80
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.
4rws C-X-C CHEMOKINE
RECEPTOR TYPE
4/ENDOLYSIN CHIMERIC
PROTEIN
VIRAL MACROPHAGE
INFLAMMATORY PROTEIN
2

(Homo sapiens;
Escherichia
virus T4;
Human
gammaherpesvirus
8) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
PF12109
(CXCR4_N)
PF00048
(IL8) 		4 GLY C   2
GLU A 288
ASP A  97
ASN A  37
 None
 1.02A 3vywC-4rwsC:
undetectable		 3vywC-4rwsC:
12.93
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		4 GLY A 467
ASP A 419
ASN A 404
GLU A 421
 None
 1.00A 3vywC-4txgA:
undetectable		 3vywC-4txgA:
16.62
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 126
GLU A 147
ASP A 178
ASP A 196
 MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
4ZY  A 501 ( 3.6A)
 0.76A 3vywC-4uoeA:
15.6		 3vywC-4uoeA:
22.05
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		4 GLY A1147
GLU A1168
ASP A1190
ASP A1143
 SAH  A1706 (-3.2A)
SAH  A1706 (-2.8A)
SAH  A1706 (-3.3A)
None
 0.84A 3vywC-4wxxA:
7.7		 3vywC-4wxxA:
14.07
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 4
ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Drosophila
melanogaster;
Drosophila
melanogaster) 		PF13191
(AAA_16)
PF14629
(ORC4_C)
PF13191
(AAA_16)
PF14630
(ORC5_C) 		4 GLY D 333
ASP D 295
ASP D 335
GLU E 174
 None
 1.01A 3vywC-4xgcD:
undetectable		 3vywC-4xgcD:
23.29
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 GLY A 906
GLU A 944
ASP A 981
ASP A 902
 None
 0.99A 3vywC-4xqkA:
undetectable		 3vywC-4xqkA:
12.67
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.
4yla AROMATIC
PRENYLTRANSFERASE

(Marinactinospora
thermotolerans) 		PF11991
(Trp_DMAT) 		4 GLY A 220
ASP A   4
ASN A 349
GLU A  89
 ILV  A 401 (-3.8A)
ILV  A 401 (-4.5A)
ILV  A 401 (-3.6A)
ILV  A 401 (-3.3A)
 0.83A 3vywC-4ylaA:
undetectable		 3vywC-4ylaA:
21.66
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.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		4 GLU A 281
ASP A 303
ASP A 255
ASN A 143
 None
None
GOL  A 401 (-2.7A)
None
 1.04A 3vywC-4yv7A:
2.8		 3vywC-4yv7A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a08 PROBABLE
MANNOSYLTRANSFERASE
KTR4

(Saccharomyces
cerevisiae) 		PF01793
(Glyco_transf_15) 		4 GLY A 408
ASP A 425
ASP A 406
ASN A 272
 None
 1.03A 3vywC-5a08A:
undetectable		 3vywC-5a08A:
24.15
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.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650) 		PF13649
(Methyltransf_25) 		4 GLY A  55
GLU A  74
ASP A  96
ASP A  51
 SAH  A 301 ( 3.7A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.7A)
SAH  A 301 ( 4.7A)
 0.95A 3vywC-5bszA:
10.8		 3vywC-5bszA:
22.03
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.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		4 GLY A  33
GLU A  53
ASP A  81
ASP A  29
 SAH  A 201 (-3.4A)
SAH  A 201 (-2.8A)
SAH  A 201 (-3.6A)
SAH  A 201 (-2.9A)
 0.91A 3vywC-5bxyA:
10.1		 3vywC-5bxyA:
20.54
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		4 GLY A 113
GLU A 135
ASP A 163
ASP A 181
 SAH  A 301 (-2.9A)
SAH  A 301 (-2.2A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.4A)
 0.62A 3vywC-5ccxA:
11.5		 3vywC-5ccxA:
23.93
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.
5dst PROTEIN ARGININE
N-METHYLTRANSFERASE
8

(Homo sapiens) 		PF06325
(PrmA) 		4 GLY A 121
GLU A 141
ASP A 117
GLU A 170
 SAH  A 401 ( 3.8A)
SAH  A 401 (-2.7A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-3.3A)
 0.98A 3vywC-5dstA:
5.8		 3vywC-5dstA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		4 GLY A 165
GLU A 186
ASP A 222
ASP A 161
 None
 0.99A 3vywC-5dtrA:
8.6		 3vywC-5dtrA:
23.96
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		4 GLY B 120
GLU B 139
ASP B 168
ASP B 203
 SAM  B 401 (-3.3A)
SAM  B 401 (-2.9A)
SAM  B 401 (-3.5A)
SAM  B 401 (-3.3A)
 0.72A 3vywC-5ergB:
10.6		 3vywC-5ergB:
23.90
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.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		4 GLY A 125
GLU A 146
ASP A 121
GLU A 175
 SAH  A 409 ( 3.7A)
SAH  A 409 (-2.6A)
SAH  A 409 ( 4.5A)
SAH  A 409 (-3.1A)
 0.95A 3vywC-5fubA:
6.1		 3vywC-5fubA:
23.55
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.
5ful PROTEIN ARGININE
N-METHYLTRANSFERASE
2

(Mus musculus) 		PF05175
(MTS) 		4 GLY A 159
GLU A 180
ASP A 155
GLU A 209
 SAH  A1446 ( 3.9A)
SAH  A1446 (-2.7A)
SAH  A1446 ( 4.5A)
SAH  A1446 (-3.1A)
 0.82A 3vywC-5fulA:
6.4		 3vywC-5fulA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		4 GLY A1150
GLU A1171
ASP A1193
ASP A1146
 SAH  A1701 (-3.5A)
SAH  A1701 (-2.7A)
SAH  A1701 (-3.7A)
None
 0.84A 3vywC-5gutA:
8.1		 3vywC-5gutA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		4 GLY A 197
GLU A 216
ASP A   8
ASP A  29
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.2A)
 0.87A 3vywC-5hfjA:
3.7		 3vywC-5hfjA:
22.50
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.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		4 GLY A  13
GLU A 477
ASN A 277
GLU A 348
 None
MG  A1201 (-2.8A)
None
None
 1.03A 3vywC-5ikzA:
undetectable		 3vywC-5ikzA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kwl VP3

(Enterovirus C) 		PF00073
(Rhv) 		4 GLY 3 138
GLU 3 186
ASP 3  92
ASP 3 140
 None
 1.00A 3vywC-5kwl3:
undetectable		 3vywC-5kwl3:
20.48
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.
5kz5 FRATAXIN,
MITOCHONDRIAL
IRON-SULFUR CLUSTER
ASSEMBLY ENZYME
ISCU, MITOCHONDRIAL

(Homo sapiens;
Homo sapiens) 		PF01491
(Frataxin_Cyay)
PF01491
(Frataxin_Cyay) 		4 GLY A 207
GLU A 184
ASP A 178
GLU a 165
 None
 1.01A 3vywC-5kz5A:
undetectable		 3vywC-5kz5A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5usw DIHYDROPTEROATE
SYNTHASE

(Aliivibrio
fischeri) 		PF00809
(Pterin_bind) 		4 GLY A  59
GLU A  74
ASP A  96
GLU A 122
 None
None
GOL  A 303 ( 4.7A)
None
 1.02A 3vywC-5uswA:
undetectable		 3vywC-5uswA:
23.33
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		4 GLY A 503
GLU A 524
ASP A 551
ASP A 575
 SAH  A 705 (-3.6A)
SAH  A 705 (-2.7A)
SAH  A 705 (-3.4A)
SAH  A 705 (-3.6A)
 0.69A 3vywC-5wcjA:
12.9		 3vywC-5wcjA:
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.
5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE

(Vibrio sp. EJY3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  54
ASP A 198
ASN A 251
GLU A 225
 None
MG  A 402 (-2.9A)
None
None
 0.78A 3vywC-5xd7A:
undetectable		 3vywC-5xd7A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 4 GLY A 406
GLU A 332
ASP A 304
ASP A 402
 None
 0.88A 3vywC-5xm3A:
undetectable		 3vywC-5xm3A:
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.
5z0r EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY
1,VIRAL GENOME
PROTEIN

(Escherichia
coli) 		no annotation 4 GLY A 261
GLU A 112
ASP A  15
ASP A  66
 MAL  A 501 ( 4.8A)
MAL  A 501 (-2.6A)
None
MAL  A 501 (-3.0A)
 1.02A 3vywC-5z0rA:
undetectable		 3vywC-5z0rA:
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.
6d2l HISTONE-ARGININE
METHYLTRANSFERASE
CARM1

(Homo sapiens) 		no annotation 4 GLY A 194
GLU A 214
ASP A 190
GLU A 243
 FTG  A 501 ( 3.9A)
FTG  A 501 (-2.5A)
None
FTG  A 501 (-3.2A)
 0.78A 3vywC-6d2lA:
7.0		 3vywC-6d2lA:
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.
6ftl RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Skeletonema
marinoi) 		no annotation 4 GLY A 340
ASP A 481
ASN A 313
GLU A 140
 None
 0.89A 3vywC-6ftlA:
undetectable		 3vywC-6ftlA:
undetectable