SIMILAR PATTERNS OF AMINO ACIDS FOR 3AV6_A_SAMA1

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.
1a5z L-LACTATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  28
PRO A 141
LEU A 113
ALA A  97
VAL A  96
 NAD  A 352 (-3.6A)
None
None
None
None
 1.09A 3av6A-1a5zA:
5.7		 3av6A-1a5zA:
11.57
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.
1d5f E6AP HECT CATALYTIC
DOMAIN, E3 LIGASE

(Homo sapiens) 		PF00632
(HECT) 		5 PHE A 589
GLY A 713
GLY A 597
LEU A 596
VAL A 595
 None
 1.07A 3av6A-1d5fA:
undetectable		 3av6A-1d5fA:
13.60
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.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		9 PHE A   7
GLY A   9
GLY A  12
LEU A  13
PRO A  70
LEU A  90
ASN A 306
ALA A 307
VAL A 308
 None
 0.74A 3av6A-1dctA:
17.9		 3av6A-1dctA:
13.40
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.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		6 PHE A   7
GLY A  11
LEU A  13
PRO A  70
LEU A  90
ASN A 306
 None
 1.28A 3av6A-1dctA:
17.9		 3av6A-1dctA:
13.40
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.
1deu PROCATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 PHE A 237
GLY A 149
GLY A 186
ALA A 185
VAL A 184
 None
 1.04A 3av6A-1deuA:
undetectable		 3av6A-1deuA:
10.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dqu ISOCITRATE LYASE

(Aspergillus
nidulans) 		PF00463
(ICL) 		5 GLY A 172
GLY A 175
LEU A 176
LEU A 238
ALA A 178
 None
 1.01A 3av6A-1dquA:
undetectable		 3av6A-1dquA:
17.95
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.
1ef7 CATHEPSIN X

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 PHE A 237
GLY A 149
GLY A 186
ALA A 185
VAL A 184
 None
 1.08A 3av6A-1ef7A:
undetectable		 3av6A-1ef7A:
10.67
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.
1ezv CYTOCHROME C1

(Saccharomyces
cerevisiae) 		PF02167
(Cytochrom_C1) 		5 GLY D 221
GLY D  68
LEU D  69
PRO D 202
ALA D  65
 None
 1.08A 3av6A-1ezvD:
0.0		 3av6A-1ezvD:
10.62
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.
1g60 ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA

(Moraxella bovis) 		PF01555
(N6_N4_Mtase) 		5 PHE A 220
GLY A 222
MET A 242
CYH A  12
PRO A  32
 SAM  A 500 (-4.6A)
SAM  A 500 (-3.2A)
SAM  A 500 (-3.6A)
SAM  A 500 (-3.4A)
None
 0.95A 3av6A-1g60A:
5.5		 3av6A-1g60A:
11.80
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.
1kij DNA GYRASE SUBUNIT B

(Thermus
thermophilus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 PHE A 216
GLY A 200
LEU A 201
ALA A 199
VAL A 198
 None
 0.96A 3av6A-1kijA:
0.0		 3av6A-1kijA:
16.49
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.
1kkr 3-METHYLASPARTATE
AMMONIA-LYASE

(Citrobacter
amalonaticus) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 GLY A 336
GLY A 133
LEU A 134
ALA A 129
VAL A 130
 None
 1.10A 3av6A-1kkrA:
undetectable		 3av6A-1kkrA:
15.63
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.
1nmo HYPOTHETICAL PROTEIN
YBGI

(Escherichia
coli) 		PF01784
(NIF3) 		5 PHE A 210
GLY A 158
GLY A 139
LEU A 142
VAL A 165
 None
 1.04A 3av6A-1nmoA:
undetectable		 3av6A-1nmoA:
11.06
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.
1o9j ALDEHYDE
DEHYDROGENASE,
CYTOSOLIC 1

(Elephantulus
edwardii) 		PF00171
(Aldedh) 		5 GLY A 426
LEU A 427
PRO A 464
ALA A 448
VAL A 428
 None
NAD  A1501 ( 4.2A)
None
None
None
 1.00A 3av6A-1o9jA:
2.1		 3av6A-1o9jA:
16.39
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.
1r18 PROTEIN-L-ISOASPARTA
TE(D-ASPARTATE)-O-ME
THYLTRANSFERASE

(Drosophila
melanogaster) 		PF01135
(PCMT) 		5 GLY A 182
LEU A 184
PRO A 157
ASN A 159
ALA A 160
 None
 0.82A 3av6A-1r18A:
3.1		 3av6A-1r18A:
11.03
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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 GLY A  94
LEU A  96
PRO A 234
ASN A  88
ALA A  87
 None
 1.04A 3av6A-1vb3A:
2.1		 3av6A-1vb3A:
14.54
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.
1ve5 THREONINE DEAMINASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 GLY A 185
GLY A 151
LEU A 238
ALA A 150
VAL A 148
 None
 1.09A 3av6A-1ve5A:
3.5		 3av6A-1ve5A:
13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x61 THYROID RECEPTOR
INTERACTING PROTEIN
6

(Homo sapiens) 		PF00412
(LIM) 		5 PHE A  34
GLY A  10
GLY A   7
LEU A  43
VAL A  15
 None
ZN  A 201 ( 4.9A)
None
None
None
 1.07A 3av6A-1x61A:
undetectable		 3av6A-1x61A:
4.90
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.
1xwd FOLLICLE STIMULATING
HORMONE RECEPTOR

(Homo sapiens) 		PF01462
(LRRNT)
PF13306
(LRR_5) 		5 PHE C 190
GLY C 192
GLY C 167
LEU C 168
ASN C 163
 None
NAG  C 269 (-3.5A)
None
None
NAG  C 269 (-3.4A)
 1.04A 3av6A-1xwdC:
undetectable		 3av6A-1xwdC:
11.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z3z DIALKYLGLYCINE
DECARBOXYLASE

(Burkholderia
cepacia) 		PF00202
(Aminotran_3) 		5 GLY A  58
LEU A  57
PRO A 279
ALA A  55
VAL A  56
 None
 1.07A 3av6A-1z3zA:
undetectable		 3av6A-1z3zA:
16.41
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.
1zcz BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Thermotoga
maritima) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 PHE A  84
GLY A  96
TRP A  80
LEU A 120
VAL A  98
 None
 1.05A 3av6A-1zczA:
undetectable		 3av6A-1zczA:
16.90
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.
2a22 VACUOLAR PROTEIN
SORTING 29

(Cryptosporidium
parvum) 		PF12850
(Metallophos_2) 		5 PHE A 165
GLY A 148
LEU A 145
LEU A  32
VAL A 127
 None
 1.04A 3av6A-2a22A:
undetectable		 3av6A-2a22A:
9.77
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.
2bmy RIPENING-ASSOCIATED
PROTEIN

(Musa acuminata) 		PF01419
(Jacalin) 		5 GLY A  90
LEU A  89
ASN A  82
ALA A  81
VAL A  80
 None
 0.83A 3av6A-2bmyA:
undetectable		 3av6A-2bmyA:
7.81
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.
2cw3 IRON SUPEROXIDE
DISMUTASE

(Perkinsus
marinus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		6 GLY A  76
LEU A  59
TRP A 171
ASN A  73
ALA A  74
VAL A  71
 None
 1.46A 3av6A-2cw3A:
undetectable		 3av6A-2cw3A:
12.17
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.
2ddh ACYL-COA OXIDASE

(Rattus
norvegicus) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 GLY A 134
GLY A 179
LEU A 180
PRO A 208
ASN A 185
 None
 0.94A 3av6A-2ddhA:
undetectable		 3av6A-2ddhA:
19.97
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.
2fpo METHYLASE YHHF

(Escherichia
coli) 		PF03602
(Cons_hypoth95) 		5 PHE A  60
GLY A  64
LEU A  66
PRO A 129
LEU A 134
 None
None
None
None
CL  A 401 (-4.5A)
 0.99A 3av6A-2fpoA:
8.2		 3av6A-2fpoA:
9.39
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.
2fus FUMARASE C

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A 203
CYH A 337
LEU A 376
ALA A 206
VAL A 205
 None
 1.07A 3av6A-2fusA:
undetectable		 3av6A-2fusA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		6 PHE A  18
GLY A  20
GLY A  23
PRO A  80
LEU A 100
VAL A 306
 SAH  A 328 (-4.9A)
SAH  A 328 (-3.3A)
SAH  A 328 (-3.6A)
SAH  A 328 (-4.0A)
SAH  A 328 ( 4.9A)
SAH  A 328 (-4.4A)
 0.74A 3av6A-2i9kA:
18.4		 3av6A-2i9kA:
12.53
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.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		6 PHE A  18
GLY A  20
PRO A  80
LEU A 100
ASN A 304
VAL A 306
 SAH  A 328 (-4.9A)
SAH  A 328 (-3.3A)
SAH  A 328 (-4.0A)
SAH  A 328 ( 4.9A)
SAH  A 328 (-3.7A)
SAH  A 328 (-4.4A)
 0.82A 3av6A-2i9kA:
18.4		 3av6A-2i9kA:
12.53
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.
2ift PUTATIVE METHYLASE
HI0767

(Haemophilus
influenzae) 		PF03602
(Cons_hypoth95) 		5 PHE A  61
GLY A  63
LEU A  67
PRO A 134
LEU A 139
 None
 0.89A 3av6A-2iftA:
8.0		 3av6A-2iftA:
8.65
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.
2k7n PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE-LIKE 1

(Homo sapiens) 		PF00160
(Pro_isomerase) 		6 PHE A 112
GLY A 109
GLY A  71
LEU A  98
ASN A 102
ALA A 103
 None
 1.50A 3av6A-2k7nA:
undetectable		 3av6A-2k7nA:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mjl PEPTIDYL-TRNA
HYDROLASE

(Vibrio cholerae) 		PF01195
(Pept_tRNA_hydro) 		5 GLY A  11
LEU A  51
MET A  93
LEU A  62
ALA A  28
 None
 0.92A 3av6A-2mjlA:
undetectable		 3av6A-2mjlA:
8.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q07 UNCHARACTERIZED
PROTEIN AF0587

(Archaeoglobus
fulgidus) 		PF01472
(PUA) 		5 PHE A 336
GLY A 340
PRO A 301
ASN A 290
VAL A 345
 None
 1.04A 3av6A-2q07A:
undetectable		 3av6A-2q07A:
13.30
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.
2qvp UNCHARACTERIZED
PROTEIN

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		5 PHE A 265
GLY A  83
LEU A  84
LEU A 269
ALA A 259
 None
 1.03A 3av6A-2qvpA:
undetectable		 3av6A-2qvpA:
12.15
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.
2ree CURA

(Moorea
producens) 		PF00583
(Acetyltransf_1) 		5 GLY A 414
LEU A 400
PRO A 304
LEU A 305
VAL A 354
 None
 0.93A 3av6A-2reeA:
undetectable		 3av6A-2reeA:
10.47
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.
2uxt PROTEIN SUFI

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 400
GLY A 105
LEU A 106
PRO A 111
VAL A 103
 None
 0.98A 3av6A-2uxtA:
undetectable		 3av6A-2uxtA:
15.49
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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 GLY A 630
LEU A 594
LEU A 369
ALA A 628
VAL A 592
 None
 1.10A 3av6A-2wpgA:
undetectable		 3av6A-2wpgA:
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A 382
LEU A 383
LEU A 560
ALA A 176
VAL A 177
 None
 0.80A 3av6A-2wu5A:
undetectable		 3av6A-2wu5A:
18.59
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.
2yjp PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID

(Neisseria
gonorrhoeae) 		PF00497
(SBP_bac_3) 		5 GLY A  53
LEU A 260
ASN A 117
ALA A 116
VAL A  54
 None
 1.06A 3av6A-2yjpA:
undetectable		 3av6A-2yjpA:
11.72
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.
2yzm D-ALANINE--D-ALANINE
LIGASE

(Thermus
thermophilus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 GLY A 106
GLY A  93
LEU A  95
LEU A 313
VAL A  91
 None
 1.05A 3av6A-2yzmA:
undetectable		 3av6A-2yzmA:
13.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		12 PHE A1148
GLY A1150
GLY A1153
LEU A1154
MET A1172
TRP A1173
CYH A1194
PRO A1228
LEU A1250
ASN A1580
ALA A1581
VAL A1582
 SAM  A   1 (-4.9A)
SAM  A   1 ( 3.9A)
SAM  A   1 (-3.6A)
SAM  A   1 (-4.7A)
SAM  A   1 (-3.6A)
None
SAM  A   1 (-3.5A)
SAM  A   1 ( 4.2A)
SAM  A   1 (-4.6A)
SAM  A   1 (-4.5A)
SAM  A   1 (-3.7A)
SAM  A   1 (-3.8A)
 0.00A 3av6A-3av6A:
62.4		 3av6A-3av6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		7 PHE A1148
GLY A1152
LEU A1154
PRO A1228
LEU A1250
ASN A1580
ALA A1581
 SAM  A   1 (-4.9A)
SAM  A   1 (-4.1A)
SAM  A   1 (-4.7A)
SAM  A   1 ( 4.2A)
SAM  A   1 (-4.6A)
SAM  A   1 (-4.5A)
SAM  A   1 (-3.7A)
 1.04A 3av6A-3av6A:
62.4		 3av6A-3av6A:
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.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 292
LEU A 291
TRP A 352
ASN A 296
ALA A 295
 None
None
SAH  A   1 (-3.9A)
SAH  A   1 (-3.3A)
None
 1.01A 3av6A-3cboA:
undetectable		 3av6A-3cboA:
10.73
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.
3fj1 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Ruegeria
pomeroyi) 		PF01380
(SIS) 		5 GLY A 302
GLY A 174
LEU A 175
ASN A 181
ALA A 177
 None
 0.95A 3av6A-3fj1A:
undetectable		 3av6A-3fj1A:
13.77
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.
3g04 THYROTROPIN RECEPTOR

(Homo sapiens) 		PF13306
(LRR_5) 		5 PHE C 197
GLY C 199
GLY C 174
LEU C 175
ASN C 170
 None
None
None
None
NAG  C   1 (-3.2A)
 1.03A 3av6A-3g04C:
undetectable		 3av6A-3g04C:
10.53
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		7 PHE A   7
GLY A   9
GLY A  12
LEU A  13
LEU A  97
ASN A 347
VAL A 349
 None
None
None
None
None
None
CL  A 401 ( 4.0A)
 0.50A 3av6A-3g7uA:
18.9		 3av6A-3g7uA:
15.79
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		7 PHE A   7
GLY A   9
GLY A  12
LEU A  13
PRO A  78
LEU A  97
VAL A 349
 None
None
None
None
None
None
CL  A 401 ( 4.0A)
 0.95A 3av6A-3g7uA:
18.9		 3av6A-3g7uA:
15.79
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		6 PHE 3 451
GLY 3 400
GLY 3 508
LEU 3 507
ALA 3 509
VAL 3 511
 None
 1.25A 3av6A-3i9v3:
2.3		 3av6A-3i9v3:
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.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 GLY A 281
GLY A 194
LEU A 195
PRO A 254
VAL A 173
 None
 1.06A 3av6A-3ib3A:
undetectable		 3av6A-3ib3A:
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.
3jzj ACARBOSE/MALTOSE
BINDING PROTEIN GACH

(Streptomyces
glaucescens) 		PF13416
(SBP_bac_8) 		5 PHE A 138
GLY A 173
ASN A 140
ALA A 247
VAL A 246
 None
 1.05A 3av6A-3jzjA:
undetectable		 3av6A-3jzjA:
15.02
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.
3lx6 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		7 PHE A  93
GLY A  95
GLY A  98
PRO A 176
LEU A 205
ASN A 436
VAL A 438
 None
 0.97A 3av6A-3lx6A:
3.9		 3av6A-3lx6A:
14.90
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.
3lx6 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		5 PHE A  93
GLY A  97
PRO A 176
LEU A 205
ASN A 436
 None
 1.10A 3av6A-3lx6A:
3.9		 3av6A-3lx6A:
14.90
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.
3me5 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		6 PHE A  93
GLY A  95
GLY A  98
LEU A 205
ASN A 436
VAL A 438
 None
 0.72A 3av6A-3me5A:
12.3		 3av6A-3me5A:
15.46
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.
3me5 CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Shigella
flexneri) 		PF00145
(DNA_methylase) 		6 PHE A  93
GLY A  95
GLY A  98
PRO A 176
LEU A 205
VAL A 438
 None
 0.95A 3av6A-3me5A:
12.3		 3av6A-3me5A:
15.46
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 GLY A 158
LEU A  98
ASN A 169
ALA A 151
VAL A 150
 None
 1.07A 3av6A-3oepA:
undetectable		 3av6A-3oepA:
17.05
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.
3org CMCLC

(Cyanidioschyzon
merolae) 		PF00654
(Voltage_CLC) 		5 PHE A 430
GLY A 428
GLY A 166
LEU A 167
VAL A 214
 None
 0.82A 3av6A-3orgA:
undetectable		 3av6A-3orgA:
18.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		12 PHE A1145
GLY A1147
GLY A1150
LEU A1151
MET A1169
TRP A1170
CYH A1191
PRO A1225
LEU A1247
ASN A1578
ALA A1579
VAL A1580
 SAH  A1601 (-4.4A)
SAH  A1601 (-3.5A)
SAH  A1601 (-3.6A)
SAH  A1601 (-3.6A)
SAH  A1601 (-4.6A)
SAH  A1601 (-4.9A)
SAH  A1601 (-3.3A)
SAH  A1601 (-4.2A)
SAH  A1601 (-3.7A)
SAH  A1601 (-4.2A)
SAH  A1601 (-4.7A)
SAH  A1601 (-4.4A)
 0.54A 3av6A-3ptaA:
37.4		 3av6A-3ptaA:
64.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		6 PHE A1145
GLY A1149
PRO A1225
LEU A1247
ASN A1578
ALA A1579
 SAH  A1601 (-4.4A)
SAH  A1601 ( 4.8A)
SAH  A1601 (-4.2A)
SAH  A1601 (-3.7A)
SAH  A1601 (-4.2A)
SAH  A1601 (-4.7A)
 0.99A 3av6A-3ptaA:
37.4		 3av6A-3ptaA:
64.05
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.
3qv2 5-CYTOSINE DNA
METHYLTRANSFERASE

(Entamoeba
histolytica) 		PF00145
(DNA_methylase) 		5 PHE A  12
GLY A  14
GLY A  17
LEU A  18
PRO A  80
 SAH  A 323 (-4.4A)
SAH  A 323 (-3.6A)
SAH  A 323 (-3.0A)
None
SAH  A 323 (-4.4A)
 0.81A 3av6A-3qv2A:
14.6		 3av6A-3qv2A:
12.92
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.
3qv2 5-CYTOSINE DNA
METHYLTRANSFERASE

(Entamoeba
histolytica) 		PF00145
(DNA_methylase) 		6 PHE A  12
GLY A  14
GLY A  17
PRO A  80
ASN A 302
VAL A 304
 SAH  A 323 (-4.4A)
SAH  A 323 (-3.6A)
SAH  A 323 (-3.0A)
SAH  A 323 (-4.4A)
None
SAH  A 323 ( 4.4A)
 0.95A 3av6A-3qv2A:
14.6		 3av6A-3qv2A:
12.92
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.
3toy MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Bradyrhizobium
sp. ORS 278) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 111
GLY A 344
LEU A 345
LEU A  83
VAL A 123
 None
 0.91A 3av6A-3toyA:
undetectable		 3av6A-3toyA:
14.68
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.
3tv2 FUMARATE HYDRATASE,
CLASS II

(Burkholderia
pseudomallei) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLY A 343
CYH A 477
LEU A 516
ALA A 346
VAL A 345
 None
 1.04A 3av6A-3tv2A:
undetectable		 3av6A-3tv2A:
15.60
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.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE

(Acinetobacter
sp. ATCC 27244) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 GLY A 527
GLY A 574
LEU A 576
LEU A 502
ALA A 546
 None
 1.08A 3av6A-3ue3A:
undetectable		 3av6A-3ue3A:
16.53
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 GLY A 279
GLY A 283
LEU A 284
LEU A 307
VAL A 349
 None
 1.01A 3av6A-3uhjA:
undetectable		 3av6A-3uhjA:
16.38
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.
3vex O-CARBAMOYLTRANSFERA
SE TOBZ

(Streptoalloteichus
tenebrarius) 		PF02543
(Carbam_trans_N)
PF16861
(Carbam_trans_C) 		5 GLY A  70
GLY A   5
LEU A   6
ALA A  68
VAL A  67
 None
 1.04A 3av6A-3vexA:
undetectable		 3av6A-3vexA:
18.02
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.
3wz2 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		5 GLY A 176
GLY A  30
LEU A 113
ASN A 190
ALA A 188
 None
 1.04A 3av6A-3wz2A:
undetectable		 3av6A-3wz2A:
11.28
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.
4ay9 FOLLICLE-STIMULATING
HORMONE RECEPTOR

(Homo sapiens) 		PF01462
(LRRNT)
PF12369
(GnHR_trans)
PF13306
(LRR_5) 		5 PHE X 190
GLY X 192
GLY X 167
LEU X 168
ASN X 163
 None
NAG  X1191 ( 4.1A)
None
None
NAG  X1191 (-3.4A)
 1.00A 3av6A-4ay9X:
undetectable		 3av6A-4ay9X:
14.77
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.
4b93 ANKYRIN REPEAT
DOMAIN-CONTAINING
PROTEIN 27

(Homo sapiens) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		6 GLY B 755
GLY B 680
LEU B 759
LEU B 781
ALA B 678
VAL B 677
 None
 1.44A 3av6A-4b93B:
1.7		 3av6A-4b93B:
11.80
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.
4db3 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Vibrio
vulnificus) 		PF00480
(ROK) 		5 GLY A 252
GLY A 127
LEU A 128
ALA A 250
VAL A 249
 None
 1.01A 3av6A-4db3A:
undetectable		 3av6A-4db3A:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		5 PHE A 297
GLY A 334
ASN A 300
ALA A 301
VAL A 302
 PEG  A 402 ( 4.8A)
PEG  A 403 ( 4.8A)
PEG  A 403 ( 4.1A)
None
None
 0.93A 3av6A-4dcmA:
8.1		 3av6A-4dcmA:
14.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Mycoplasma
penetrans) 		PF00145
(DNA_methylase) 		5 PHE A  17
GLY A  19
PRO A 134
LEU A 157
ASN A 374
 SAH  A 501 (-4.8A)
SAH  A 501 (-3.4A)
SAH  A 501 ( 4.4A)
SAH  A 501 (-4.8A)
SAH  A 501 (-4.3A)
 0.66A 3av6A-4dkjA:
14.3		 3av6A-4dkjA:
14.92
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.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Mycoplasma
penetrans) 		PF00145
(DNA_methylase) 		5 PHE A  17
GLY A  21
PRO A 134
LEU A 157
ASN A 374
 SAH  A 501 (-4.8A)
SAH  A 501 (-4.0A)
SAH  A 501 ( 4.4A)
SAH  A 501 (-4.8A)
SAH  A 501 (-4.3A)
 0.96A 3av6A-4dkjA:
14.3		 3av6A-4dkjA:
14.92
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.
4ft2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Zea mays) 		PF00145
(DNA_methylase)
PF00385
(Chromo)
PF01426
(BAH) 		6 GLY A 349
GLY A 352
PRO A 516
ASN A 851
ALA A 852
VAL A 853
 SAH  A1000 ( 4.1A)
SAH  A1000 (-3.9A)
SAH  A1000 (-4.5A)
SAH  A1000 ( 4.3A)
SAH  A1000 (-2.9A)
SAH  A1000 (-3.6A)
 0.36A 3av6A-4ft2A:
26.4		 3av6A-4ft2A:
23.37
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.
4h0n DNMT2

(Spodoptera
frugiperda) 		PF00145
(DNA_methylase) 		5 GLY A  11
GLY A  14
PRO A  77
ASN A 316
VAL A 318
 SAH  A 401 (-3.3A)
SAH  A 401 (-3.7A)
SAH  A 401 (-4.2A)
SAH  A 401 (-4.8A)
SAH  A 401 (-4.4A)
 0.78A 3av6A-4h0nA:
15.7		 3av6A-4h0nA:
13.01
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.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 5 GLY B 118
LEU B 117
PRO B 127
ASN B 123
VAL B 121
 None
 1.10A 3av6A-4iu9B:
undetectable		 3av6A-4iu9B:
15.10
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.
4j25 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
putida) 		PF13640
(2OG-FeII_Oxy_3) 		5 PHE A  28
GLY A 171
LEU A  33
PRO A   8
ALA A  31
 None
 0.97A 3av6A-4j25A:
undetectable		 3av6A-4j25A:
10.88
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.
4onq DNA
METHYLTRANSFERASE

(Nicotiana
tabacum) 		PF00145
(DNA_methylase) 		6 PHE A 488
GLY A 490
GLY A 493
PRO A 566
LEU A 588
ASN A 460
 SFG  A 700 (-4.5A)
SFG  A 700 (-3.5A)
SFG  A 700 (-3.6A)
None
SFG  A 700 (-4.9A)
None
 1.45A 3av6A-4onqA:
undetectable		 3av6A-4onqA:
14.08
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 GLY A 110
GLY A 157
LEU A 120
ALA A 108
VAL A 107
 None
 1.00A 3av6A-4qdgA:
undetectable		 3av6A-4qdgA:
13.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		12 PHE A1145
GLY A1147
GLY A1150
LEU A1151
MET A1169
TRP A1170
CYH A1191
PRO A1225
LEU A1247
ASN A1578
ALA A1579
VAL A1580
 SAH  A1706 (-4.8A)
SAH  A1706 (-3.2A)
SAH  A1706 (-3.2A)
SAH  A1706 (-3.9A)
SAH  A1706 (-3.9A)
None
SAH  A1706 (-3.8A)
SAH  A1706 ( 4.7A)
SAH  A1706 (-4.6A)
SAH  A1706 (-4.5A)
SAH  A1706 (-4.0A)
SAH  A1706 (-4.4A)
 0.26A 3av6A-4wxxA:
49.7		 3av6A-4wxxA:
82.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		7 PHE A1145
GLY A1149
LEU A1151
PRO A1225
LEU A1247
ASN A1578
ALA A1579
 SAH  A1706 (-4.8A)
SAH  A1706 ( 4.3A)
SAH  A1706 (-3.9A)
SAH  A1706 ( 4.7A)
SAH  A1706 (-4.6A)
SAH  A1706 (-4.5A)
SAH  A1706 (-4.0A)
 1.02A 3av6A-4wxxA:
49.7		 3av6A-4wxxA:
82.53
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.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00144
(Beta-lactamase) 		5 GLY A 362
LEU A 361
LEU A 307
ASN A 341
VAL A 356
 None
 1.07A 3av6A-4x68A:
undetectable		 3av6A-4x68A:
13.76
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.
4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG

(Haemophilus
influenzae) 		PF03595
(SLAC1) 		5 PHE A 260
GLY A 296
LEU A 297
LEU A 241
VAL A 293
 None
 1.09A 3av6A-4ycrA:
undetectable		 3av6A-4ycrA:
12.53
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.
4zaa FDC1

(Aspergillus
niger) 		PF01977
(UbiD) 		5 PHE A 437
TRP A 193
PRO A 438
LEU A 439
VAL A 434
 4M4  A 606 (-4.7A)
None
None
4M4  A 606 ( 4.2A)
None
 0.93A 3av6A-4zaaA:
undetectable		 3av6A-4zaaA:
16.38
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.
5c70 GLUCURONIDASE

(Aspergillus
oryzae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 PHE A 526
GLY A 513
LEU A 514
ALA A 512
VAL A 511
 None
 1.10A 3av6A-5c70A:
undetectable		 3av6A-5c70A:
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.
5caj UPF0246 PROTEIN YAAA

(Escherichia
coli) 		PF03883
(H2O2_YaaD) 		5 PHE A  83
GLY A  85
GLY A  90
LEU A  91
PRO A   7
 None
 0.88A 3av6A-5cajA:
undetectable		 3av6A-5cajA:
11.83
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.
5e1v POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		no annotation 5 PHE B 193
GLY B  36
LEU B  37
CYH B  54
LEU B 233
 None
 0.93A 3av6A-5e1vB:
undetectable		 3av6A-5e1vB:
11.58
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.
5e9g ISOCITRATE LYASE

(Magnaporthe
oryzae) 		PF00463
(ICL) 		5 GLY A 181
GLY A 184
LEU A 185
LEU A 247
ALA A 187
 None
 1.09A 3av6A-5e9gA:
undetectable		 3av6A-5e9gA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9h ISOCITRATE LYASE

(Fusarium
graminearum) 		PF00463
(ICL) 		5 GLY A 181
GLY A 184
LEU A 185
LEU A 247
ALA A 187
 None
 1.03A 3av6A-5e9hA:
undetectable		 3av6A-5e9hA:
16.85
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.
5fya PATATIN-LIKE
PROTEIN, PLPD

(Pseudomonas
aeruginosa) 		PF01734
(Patatin) 		5 GLY A  31
GLY A  58
LEU A  29
LEU A 293
ALA A  63
 None
 0.97A 3av6A-5fyaA:
undetectable		 3av6A-5fyaA:
12.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		12 PHE A1148
GLY A1150
GLY A1153
LEU A1154
MET A1172
TRP A1173
CYH A1194
PRO A1228
LEU A1250
ASN A1580
ALA A1581
VAL A1582
 SAH  A1701 (-4.8A)
SAH  A1701 (-3.5A)
SAH  A1701 (-3.3A)
SAH  A1701 (-4.3A)
SAH  A1701 (-3.8A)
None
SAH  A1701 (-3.7A)
SAH  A1701 ( 4.5A)
SAH  A1701 (-4.6A)
SAH  A1701 (-3.9A)
SAH  A1701 (-3.5A)
SAH  A1701 (-4.0A)
 0.38A 3av6A-5gutA:
39.3		 3av6A-5gutA:
99.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		7 PHE A1148
GLY A1152
LEU A1154
PRO A1228
LEU A1250
ASN A1580
ALA A1581
 SAH  A1701 (-4.8A)
SAH  A1701 (-3.8A)
SAH  A1701 (-4.3A)
SAH  A1701 ( 4.5A)
SAH  A1701 (-4.6A)
SAH  A1701 (-3.9A)
SAH  A1701 (-3.5A)
 1.08A 3av6A-5gutA:
39.3		 3av6A-5gutA:
99.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gwj DNA TOPOISOMERASE
2-BETA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 GLY A 531
LEU A 532
LEU A 507
ASN A 525
VAL A 530
 None
 1.10A 3av6A-5gwjA:
undetectable		 3av6A-5gwjA:
20.25
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.
5m3c DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A1077
LEU A1080
CYH A1055
LEU A1092
ALA A1078
 None
 1.09A 3av6A-5m3cA:
undetectable		 3av6A-5m3cA:
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.
5mtf RHOMBOID PROTEASE
GLPG

(Escherichia
coli) 		no annotation 5 GLY A 257
LEU A 258
TRP A 158
LEU A 229
ALA A 206
 None
BNG  A 305 ( 4.4A)
None
None
None
 1.01A 3av6A-5mtfA:
undetectable		 3av6A-5mtfA:
9.37
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.
5the UNCHARACTERIZED
PROTEIN

(Vanderwaltozyma
polyspora) 		no annotation 5 GLY A 832
GLY A 872
LEU A 876
CYH A1206
ASN A 788
 None
 1.05A 3av6A-5theA:
undetectable		 3av6A-5theA:
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.
5u6u CYTOCHROME P450

(Rhodopseudomonas
palustris) 		no annotation 5 PHE A 298
GLY A  81
LEU A 323
ALA A 184
VAL A 181
 HEM  A 501 (-3.9A)
None
None
None
None
 1.03A 3av6A-5u6uA:
undetectable		 3av6A-5u6uA:
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.
5vps SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Burkholderia
ambifaria) 		PF13561
(adh_short_C2) 		5 GLY A 245
GLY A 166
LEU A 167
CYH A 236
ALA A 165
 None
 1.02A 3av6A-5vpsA:
4.4		 3av6A-5vpsA:
11.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 5 GLY A 444
LEU A 445
PRO A 482
ALA A 466
VAL A 446
 None
 1.03A 3av6A-6b5iA:
2.2		 3av6A-6b5iA:
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.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 5 PHE A 640
GLY A 642
GLY A 646
PRO A 709
LEU A 730
 SAH  A1001 (-4.4A)
SAH  A1001 (-3.4A)
None
SAH  A1001 (-3.7A)
SAH  A1001 (-4.8A)
 1.09A 3av6A-6brrA:
11.4		 3av6A-6brrA:
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.
6bxa TOLL-LIKE RECEPTOR
5B, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA

(Eptatretus
burgeri;
Danio rerio) 		no annotation 6 PHE A 116
GLY A 118
GLY A  94
LEU A  95
LEU A 111
ASN A  90
 None
 1.35A 3av6A-6bxaA:
undetectable		 3av6A-6bxaA:
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 GLY L 209
LEU L 208
LEU L 435
ASN L 202
ALA L 206
 None
 1.05A 3av6A-6ehsL:
undetectable		 3av6A-6ehsL:
undetectable