SIMILAR PATTERNS OF AMINO ACIDS FOR 5M66_A_ADNA502

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.
1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		5 THR A  25
ASP A  20
LYS A 116
ASP A 117
LEU A  22
 None
 1.30A 5m66A-1auaA:
undetectable		 5m66A-1auaA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 LEU A 161
ASP A 162
ASP A 183
MET A 147
PHE A 146
 None
 1.15A 5m66A-1g7rA:
undetectable		 5m66A-1g7rA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 HIS A 146
ASP A 237
THR A 247
GLY A 161
HIS A 160
 MN  A 351 (-3.3A)
MN  A 351 (-2.2A)
None
None
None
 1.41A 5m66A-1gq7A:
2.7		 5m66A-1gq7A:
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.
1h3e TYROSYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00579
(tRNA-synt_1b) 		5 LEU A 269
LEU A 243
GLY A 242
HIS A  52
MET A 233
 None
None
None
ATP  A1433 (-4.3A)
None
 1.38A 5m66A-1h3eA:
2.2		 5m66A-1h3eA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 HIS A 252
ASP A 169
THR A 118
LEU A 248
GLY A 247
 ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
TRS  A2922 ( 4.2A)
None
None
 1.23A 5m66A-1kq3A:
2.2		 5m66A-1kq3A:
22.18
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.
1p49 STERYL-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 LEU A  31
THR A 406
GLY A 380
HIS A  68
PHE A  82
 None
 1.26A 5m66A-1p49A:
undetectable		 5m66A-1p49A:
22.85
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.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 LEU A 227
ASP A 252
THR A 254
LEU A 103
GLY A 102
 None
None
None
KCX  A 162 ( 4.2A)
None
 1.42A 5m66A-1pojA:
undetectable		 5m66A-1pojA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.33A 5m66A-1rrmA:
2.6		 5m66A-1rrmA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tj7 ARGININOSUCCINATE
LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 LEU A 103
HIS A 104
ASP A  33
LEU A   3
HIS A  85
 None
 1.38A 5m66A-1tj7A:
undetectable		 5m66A-1tj7A:
24.48
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.
1uzg MAJOR ENVELOPE
PROTEIN E

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		5 THR A 313
THR A  40
ASP A  42
LEU A 319
PHE A  11
 None
 1.46A 5m66A-1uzgA:
undetectable		 5m66A-1uzgA:
22.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  53
HIS A  54
THR A  56
ASP A 134
THR A 201
LYS A 230
ASP A 234
LEU A 392
GLY A 397
HIS A 398
MET A 403
PHE A 407
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.1A)
NAD  A 501 ( 2.8A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.27A 5m66A-1v8bA:
59.7		 5m66A-1v8bA:
53.25
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.
1xa6 BETA2-CHIMAERIN

(Homo sapiens) 		PF00017
(SH2)
PF00130
(C1_1)
PF00620
(RhoGAP) 		5 LEU A 236
THR A 219
ASP A 127
THR A 131
GLY A 240
 None
 1.44A 5m66A-1xa6A:
undetectable		 5m66A-1xa6A:
22.77
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 THR A 322
THR A 217
ASP A 372
GLY A 363
PHE A 210
 None
IND  A 503 ( 4.3A)
FE  A 502 (-2.1A)
None
IND  A 503 ( 4.4A)
 1.31A 5m66A-2b24A:
undetectable		 5m66A-2b24A:
20.38
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.
2eh0 KINESIN-LIKE PROTEIN
KIF1B

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 LEU A  11
LEU A  48
GLY A  36
HIS A  57
PHE A  60
 None
 1.28A 5m66A-2eh0A:
undetectable		 5m66A-2eh0A:
13.57
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.
2ftz GERANYLTRANSTRANSFER
ASE

(Thermotoga
maritima) 		PF00348
(polyprenyl_synt) 		5 ASP A  48
THR A  44
GLY A 249
MET A 186
PHE A 176
 None
None
MLY  A 248 ( 2.4A)
None
MLY  A 181 ( 4.5A)
 1.07A 5m66A-2ftzA:
undetectable		 5m66A-2ftzA:
21.26
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.
2g1l KINESIN-LIKE PROTEIN
KIF1C

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 LEU A 501
LEU A 534
GLY A 526
HIS A 543
PHE A 546
 None
 1.11A 5m66A-2g1lA:
undetectable		 5m66A-2g1lA:
12.81
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.
2hfq HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF09630
(DUF2024) 		5 LEU A  40
LYS A  80
GLY A  15
HIS A  16
MET A  18
 None
 1.16A 5m66A-2hfqA:
undetectable		 5m66A-2hfqA:
10.90
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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		5 LEU A 263
ASP A  91
LEU A 104
GLY A 159
MET A  96
 None
 1.37A 5m66A-2hp3A:
undetectable		 5m66A-2hp3A:
23.08
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.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 LEU A 103
ASP A  75
THR A 290
GLY A 107
HIS A  79
 None
None
None
KCX  A 175 ( 4.0A)
ZN  A 418 (-3.4A)
 1.39A 5m66A-2ogjA:
undetectable		 5m66A-2ogjA:
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.30A 5m66A-2wabA:
5.3		 5m66A-2wabA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wm4 PUTATIVE CYTOCHROME
P450 124

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 LEU A 198
THR A 271
LEU A 263
MET A 318
PHE A 416
 None
HEM  A 450 (-3.1A)
HEM  A 450 ( 4.5A)
HEM  A 450 ( 4.4A)
None
 1.29A 5m66A-2wm4A:
undetectable		 5m66A-2wm4A:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsr CATECHOL 1,2
DIOXYGENASE

(Acinetobacter
radioresistens) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 ASP A 246
LEU A 207
GLY A 214
HIS A 213
PHE A 250
 None
 1.40A 5m66A-2xsrA:
undetectable		 5m66A-2xsrA:
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.
2yln PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID

(Neisseria
gonorrhoeae) 		PF00497
(SBP_bac_3) 		5 LEU A  41
ASP A 110
THR A  52
GLY A  87
PHE A 247
 None
GOL  A1281 (-3.2A)
GOL  A1281 (-2.7A)
None
None
 1.37A 5m66A-2ylnA:
2.2		 5m66A-2ylnA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00421
(PSII) 		5 LEU B  69
THR B 262
LEU B 158
GLY B 154
HIS B 202
 CLA  B1014 (-3.6A)
CLA  B1011 (-3.7A)
None
None
CLA  B1011 (-3.7A)
 1.41A 5m66A-3a0hB:
undetectable		 5m66A-3a0hB:
22.30
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 THR A 531
ASP A 445
LEU A 533
GLY A 509
PHE A 449
 None
 1.30A 5m66A-3azqA:
3.3		 5m66A-3azqA:
21.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  69
THR A  74
ASP A 156
THR A 219
ASP A 252
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
 1.29A 5m66A-3ce6A:
60.8		 5m66A-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  68
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 407
 None
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.21A 5m66A-3ce6A:
60.8		 5m66A-3ce6A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  68
HIS A  69
THR A  71
ASP A 156
THR A 219
LYS A 248
ASP A 252
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.20A 5m66A-3ce6A:
60.8		 5m66A-3ce6A:
58.92
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.
3d8k PROTEIN PHOSPHATASE
2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 THR A 330
ASP A 328
GLY A 249
HIS A 268
PHE A 164
 None
 1.25A 5m66A-3d8kA:
undetectable		 5m66A-3d8kA:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  51
HIS A  52
THR A  54
ASP A 130
THR A 156
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.52A 5m66A-3g1uA:
57.0		 5m66A-3g1uA:
60.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  62
THR A  67
ASP A 139
THR A 200
ASP A 233
MET A 399
 RAB  A 602 (-3.8A)
RAB  A 602 (-4.5A)
RAB  A 602 (-3.0A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-2.5A)
RAB  A 602 (-3.6A)
 1.38A 5m66A-3glqA:
61.3		 5m66A-3glqA:
65.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  61
ASP A 139
THR A 200
LYS A 229
ASP A 233
LEU A 385
HIS A 394
 None
RAB  A 602 (-3.0A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
NAD  A 601 ( 3.6A)
 1.29A 5m66A-3glqA:
61.3		 5m66A-3glqA:
65.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  61
HIS A  62
THR A  64
ASP A 139
THR A 200
LYS A 229
ASP A 233
LEU A 388
GLY A 393
HIS A 394
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.24A 5m66A-3glqA:
61.3		 5m66A-3glqA:
65.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2y GTPASE FAMILY
PROTEIN

(Bacillus
anthracis) 		PF01926
(MMR_HSR1) 		5 HIS A 354
ASP A 267
THR A 257
LEU A 320
PHE A 336
 None
 1.19A 5m66A-3h2yA:
2.5		 5m66A-3h2yA:
23.60
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 LEU A 198
HIS A 196
ASP A   9
GLY A 194
HIS A 224
 None
 1.28A 5m66A-3h3eA:
undetectable		 5m66A-3h3eA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  52
ASP A 130
LYS A 185
ASP A 189
LEU A 343
HIS A 352
 ADN  A 439 ( 4.7A)
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 3.3A)
 1.49A 5m66A-3h9uA:
57.4		 5m66A-3h9uA:
58.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  52
THR A  57
ASP A 130
THR A 156
ASP A 189
 ADN  A 439 ( 4.7A)
ADN  A 439 (-4.7A)
None
NAD  A 438 (-3.8A)
NAD  A 438 ( 4.4A)
 1.39A 5m66A-3h9uA:
57.4		 5m66A-3h9uA:
58.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  51
HIS A  52
THR A  54
ASP A 130
THR A 156
LYS A 185
ASP A 189
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
NAD  A 438 (-3.8A)
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.27A 5m66A-3h9uA:
57.4		 5m66A-3h9uA:
58.85
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 HIS A 459
ASP A 458
THR A 251
LEU A 419
GLY A 420
 None
 1.44A 5m66A-3kjrA:
2.7		 5m66A-3kjrA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 LEU A  78
ASP A  60
THR A 293
LEU A 421
HIS A  64
 None
DQR  A3168 (-2.5A)
DQR  A3168 ( 4.9A)
None
None
 1.33A 5m66A-3ldrA:
undetectable		 5m66A-3ldrA:
21.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.27A 5m66A-3n58A:
62.2		 5m66A-3n58A:
69.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  54
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.27A 5m66A-3n58A:
62.2		 5m66A-3n58A:
69.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  54
HIS A  55
THR A  57
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.22A 5m66A-3n58A:
62.2		 5m66A-3n58A:
69.73
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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 HIS A 154
ASP A 245
THR A 255
GLY A 169
HIS A 168
 MN  A1602 (-3.3A)
MN  A1602 (-2.2A)
None
None
None
 1.33A 5m66A-3nioA:
undetectable		 5m66A-3nioA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.31A 5m66A-3oneA:
57.6		 5m66A-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
THR A  67
ASP A 139
THR A 206
ASP A 239
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
 1.28A 5m66A-3oneA:
57.6		 5m66A-3oneA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  61
HIS A  62
THR A  64
ASP A 139
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.44A 5m66A-3oneA:
57.6		 5m66A-3oneA:
62.65
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.
3op7 AMINOTRANSFERASE
CLASS I AND II

(Streptococcus
suis) 		PF00155
(Aminotran_1_2) 		5 LEU A 201
ASP A 171
THR A 173
LEU A 140
GLY A 138
 None
None
None
EDO  A 403 ( 4.7A)
EDO  A 403 (-3.5A)
 1.45A 5m66A-3op7A:
2.7		 5m66A-3op7A:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B

(Azoarcus
evansii) 		no annotation 5 LEU A 427
HIS A 423
LYS A 398
HIS A 406
PHE A 395
 None
 0.89A 5m66A-3pf7A:
undetectable		 5m66A-3pf7A:
20.49
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.
3q2k OXIDOREDUCTASE

(Bordetella
pertussis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.34A 5m66A-3q2kA:
4.9		 5m66A-3q2kA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qvf FOMA PROTEIN

(Streptomyces
wedmorensis) 		PF00696
(AA_kinase) 		5 ASP A 150
THR A 215
ASP A 208
GLY A  54
HIS A  58
 MG  A5000 (-4.0A)
None
ADP  A1260 ( 3.9A)
FV1  A4001 (-3.2A)
FV1  A4001 (-4.0A)
 1.32A 5m66A-3qvfA:
2.3		 5m66A-3qvfA:
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.
3qvf FOMA PROTEIN

(Streptomyces
wedmorensis) 		PF00696
(AA_kinase) 		5 ASP A 150
THR A 215
ASP A 208
GLY A  57
HIS A  58
 MG  A5000 (-4.0A)
None
ADP  A1260 ( 3.9A)
FV1  A4001 (-3.4A)
FV1  A4001 (-4.0A)
 1.31A 5m66A-3qvfA:
2.3		 5m66A-3qvfA:
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 THR A 171
ASP A  55
ASP A   5
GLY A 173
HIS A 198
 None
GOL  A 496 (-3.1A)
GOL  A 496 (-2.9A)
None
None
 1.43A 5m66A-3rreA:
5.7		 5m66A-3rreA:
25.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 HIS A 218
ASP A 325
THR A 335
GLY A 234
HIS A 233
 MN  A 412 ( 3.3A)
MN  A 412 ( 2.0A)
None
FB6  A 414 (-3.6A)
FB6  A 414 (-3.5A)
 1.29A 5m66A-3sl1A:
2.7		 5m66A-3sl1A:
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.
3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 LEU A 446
THR A 452
GLY A 463
HIS A 462
MET A 460
 None
 1.30A 5m66A-3v4cA:
2.2		 5m66A-3v4cA:
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.
4b43 TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N) 		5 HIS A 109
THR A 107
ASP A 126
THR A 127
ASP A  91
 None
 1.37A 5m66A-4b43A:
undetectable		 5m66A-4b43A:
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 HIS A  23
ASP A 581
ASP A 196
GLY A  17
PHE A  10
 None
 1.22A 5m66A-4cw4A:
undetectable		 5m66A-4cw4A:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		5 HIS A 161
ASP A 244
THR A 254
GLY A 176
HIS A 175
 MN  A 401 (-3.4A)
MN  A 401 (-2.0A)
None
UNK  A 409 ( 3.4A)
UNK  A 407 ( 3.8A)
 1.32A 5m66A-4dz4A:
undetectable		 5m66A-4dz4A:
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.
4egx KINESIN-LIKE PROTEIN
KIF1A

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
 None
 1.12A 5m66A-4egxA:
undetectable		 5m66A-4egxA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ejq KINESIN-LIKE PROTEIN
KIF1A

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
 None
 1.08A 5m66A-4ejqA:
undetectable		 5m66A-4ejqA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h2x AMINO
ACID--[ACYL-CARRIER-
PROTEIN] LIGASE 1

(Agrobacterium
fabrum;
Bradyrhizobium
diazoefficiens) 		no annotation 5 LEU B 242
HIS B 293
THR B 207
GLY B 296
HIS B 295
 None
 1.05A 5m66A-4h2xB:
undetectable		 5m66A-4h2xB:
23.94
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.
4hxq ARGINASE-1

(Homo sapiens) 		PF00491
(Arginase) 		5 HIS A 126
ASP A 234
THR A 244
GLY A 142
HIS A 141
 MN  A 902 ( 3.4A)
MN  A 902 ( 2.0A)
None
X8A  A 901 ( 3.7A)
X8A  A 901 (-3.4A)
 1.37A 5m66A-4hxqA:
undetectable		 5m66A-4hxqA:
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.
4iu4 ARGINASE

(Leishmania
mexicana) 		PF00491
(Arginase) 		5 HIS A 139
ASP A 245
THR A 255
GLY A 155
HIS A 154
 MN  A 402 ( 3.4A)
MN  A 402 ( 2.0A)
None
S2C  A 405 ( 3.7A)
S2C  A 405 (-3.2A)
 1.35A 5m66A-4iu4A:
2.3		 5m66A-4iu4A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		5 HIS A 145
ASP A 253
THR A 263
GLY A 161
HIS A 160
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.0A)
None
38I  A 406 ( 3.7A)
38I  A 406 (-3.5A)
 1.31A 5m66A-4ixuA:
undetectable		 5m66A-4ixuA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos taurus) 		PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 LEU A 396
HIS A 491
THR A 392
ASP A 308
GLY A 142
 GOL  A 734 (-4.6A)
None
None
GOL  A 734 (-2.6A)
None
 1.21A 5m66A-4kcaA:
undetectable		 5m66A-4kcaA:
22.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  58
THR A  63
ASP A 135
THR A 198
ASP A 231
 ADN  A 501 (-4.0A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-3.1A)
 1.25A 5m66A-4lvcA:
68.9		 5m66A-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  57
HIS A  58
THR A  60
ASP A 135
THR A 198
LYS A 227
ASP A 231
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.18A 5m66A-4lvcA:
68.9		 5m66A-4lvcA:
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.
4mca GLYCEROL
DEHYDROGENASE

(Serratia
plymuthica) 		PF00465
(Fe-ADH) 		5 HIS A 254
ASP A 171
THR A 120
LEU A 250
GLY A 249
 ZN  A1000 (-3.1A)
ZN  A1000 (-2.1A)
None
None
None
 1.27A 5m66A-4mcaA:
2.4		 5m66A-4mcaA:
23.63
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.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ASP A  77
LEU A 314
GLY A 313
MET A  78
PHE A  82
 None
 1.33A 5m66A-4mo9A:
3.2		 5m66A-4mo9A:
23.49
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.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		5 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.38A 5m66A-4q3rA:
undetectable		 5m66A-4q3rA:
21.15
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU B1073
HIS A  73
LYS B1102
ASP B1106
GLY A  75
 None
ZN  A1002 (-3.1A)
None
None
None
 1.29A 5m66A-4qiwB:
undetectable		 5m66A-4qiwB:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4utg SUGAR KINASE

(Burkholderia
pseudomallei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 198
LEU A  14
GLY A  15
MET A 261
PHE A 257
 None
None
CL  A 402 ( 3.7A)
None
None
 1.25A 5m66A-4utgA:
undetectable		 5m66A-4utgA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 LEU A 326
HIS A 412
THR A 322
ASP A 238
GLY A  69
 None
None
None
AHR  A 720 ( 4.9A)
None
 1.15A 5m66A-5ho9A:
undetectable		 5m66A-5ho9A:
23.00
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		5 LEU A 326
HIS A 412
THR A 322
ASP A 238
GLY A  69
 TRS  A 903 (-4.4A)
None
None
TRS  A 903 (-2.7A)
None
 1.19A 5m66A-5hp6A:
undetectable		 5m66A-5hp6A:
21.39
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.
5htv PUTATIVE XYLULOSE
KINASE

(Arabidopsis
thaliana) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 THR A 234
THR A 247
ASP A 283
LEU A 425
GLY A 208
 None
 1.21A 5m66A-5htvA:
undetectable		 5m66A-5htvA:
23.89
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.
5uj8 ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF07034
(ORC3_N) 		5 LEU A 688
HIS A 637
THR A 708
LEU A 638
HIS A 601
 None
 1.42A 5m66A-5uj8A:
undetectable		 5m66A-5uj8A:
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.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		5 LEU A  95
HIS A  92
ASP A 146
GLY A  51
HIS A 186
 None
PO4  A 404 (-3.7A)
PO4  A 404 ( 4.6A)
None
FE  A 403 ( 3.4A)
 1.45A 5m66A-5uq6A:
undetectable		 5m66A-5uq6A:
21.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 HIS A  53
ASP A 137
THR A 212
LYS A 241
ASP A 245
LEU A 401
HIS A 410
 SAH  A 502 (-4.0A)
SAH  A 502 (-3.4A)
NAD  A 501 ( 4.1A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 3.5A)
 1.47A 5m66A-5utuA:
54.4		 5m66A-5utuA:
51.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  53
THR A  58
ASP A 137
THR A 212
ASP A 245
 SAH  A 502 (-4.0A)
SAH  A 502 (-4.2A)
SAH  A 502 (-3.4A)
NAD  A 501 ( 4.1A)
SAH  A 502 (-2.8A)
 1.43A 5m66A-5utuA:
54.4		 5m66A-5utuA:
51.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  52
HIS A  53
THR A  55
ASP A 137
THR A 212
LYS A 241
ASP A 245
LEU A 404
GLY A 409
HIS A 410
MET A 415
PHE A 419
 None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.4A)
NAD  A 501 ( 4.1A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.33A 5m66A-5utuA:
54.4		 5m66A-5utuA:
51.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  59
THR A  64
ASP A 136
THR A 198
ASP A 231
 ADN  A 502 ( 3.9A)
ADN  A 502 (-4.4A)
ADN  A 502 (-2.9A)
NAD  A 501 ( 2.9A)
ADN  A 502 (-2.8A)
 1.22A 5m66A-5v96A:
62.6		 5m66A-5v96A:
62.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  58
HIS A  59
THR A  61
ASP A 136
THR A 198
LYS A 227
ASP A 231
LEU A 389
GLY A 394
HIS A 395
MET A 400
PHE A 404
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
NAD  A 501 ( 2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.13A 5m66A-5v96A:
62.6		 5m66A-5v96A:
62.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A 199
LYS A 227
ASP A 231
LEU A 386
HIS A 395
 NAD  A 501 (-3.0A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 3.4A)
 1.25A 5m66A-5v96A:
62.6		 5m66A-5v96A:
62.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  55
THR A  60
ASP A 131
THR A 157
ASP A 190
 9W4  A 502 (-3.7A)
None
None
None
NAD  A 501 (-4.1A)
 1.45A 5m66A-5w4bA:
48.0		 5m66A-5w4bA:
57.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  54
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
 None
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.93A 5m66A-5w4bA:
48.0		 5m66A-5w4bA:
57.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  54
HIS A  55
THR A  57
ASP A 131
THR A 157
LYS A 186
ASP A 190
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.74A 5m66A-5w4bA:
48.0		 5m66A-5w4bA:
57.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LYS A 186
ASP A 190
GLY A 352
HIS A 353
MET A 358
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.93A 5m66A-5w4bA:
48.0		 5m66A-5w4bA:
57.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LYS A 186
ASP A 190
LEU A 347
GLY A 352
HIS A 353
MET A 358
 None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 0.88A 5m66A-5w4bA:
48.0		 5m66A-5w4bA:
57.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A 157
LYS A 186
ASP A 190
LEU A 347
MET A 358
 None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
9W4  A 502 (-3.6A)
 1.16A 5m66A-5w4bA:
48.0		 5m66A-5w4bA:
57.47
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.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 LEU A 187
HIS A 185
GLY A 255
HIS A 241
PHE A 244
 None
 1.37A 5m66A-5xgsA:
undetectable		 5m66A-5xgsA:
21.60
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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		5 HIS A 254
ASP A 171
THR A 120
LEU A 250
GLY A 249
 ZN  A 401 (-3.4A)
ZN  A 401 (-2.3A)
None
None
None
 1.17A 5m66A-5xn8A:
2.2		 5m66A-5xn8A:
22.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  58
THR A  63
ASP A 136
THR A 162
ASP A 195
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.7A)
 1.25A 5m66A-6aphA:
58.1		 5m66A-6aphA:
60.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  57
ASP A 136
THR A 162
LYS A 191
ASP A 195
LEU A 349
HIS A 358
 None
ADN  A 501 (-3.0A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 3.5A)
 1.30A 5m66A-6aphA:
58.1		 5m66A-6aphA:
60.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  57
HIS A  58
THR A  60
ASP A 136
THR A 162
LYS A 191
ASP A 195
LEU A 352
GLY A 357
HIS A 358
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.15A 5m66A-6aphA:
58.1		 5m66A-6aphA:
60.62
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 5 ASP B 580
THR B 583
LEU B 288
GLY B 765
PHE B 578
 None
 1.36A 5m66A-6btmB:
undetectable		 5m66A-6btmB:
11.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 6 HIS B  61
ASP B 139
LYS B 194
ASP B 198
LEU B 373
HIS B 382
 ADN  B 502 ( 4.0A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 (-3.4A)
 1.48A 5m66A-6f3mB:
53.4		 5m66A-6f3mB:
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.
6f3m -

(-) 		no annotation 11 HIS B  61
THR B  63
ASP B 139
THR B 165
LYS B 194
ASP B 198
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.18A 5m66A-6f3mB:
53.4		 5m66A-6f3mB:
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.
6f3m -

(-) 		no annotation 6 HIS B  61
THR B  66
ASP B 139
THR B 165
ASP B 198
MET B 387
 ADN  B 502 ( 4.0A)
ADN  B 502 (-4.6A)
ZN  B 505 ( 2.5A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-2.7A)
ADN  B 502 (-3.7A)
 1.34A 5m66A-6f3mB:
53.4		 5m66A-6f3mB:
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.
6gbn -

(-) 		no annotation 5 HIS A  56
THR A  61
ASP A 134
THR A 160
ASP A 193
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.6A)
ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.7A)
 1.22A 5m66A-6gbnA:
58.1		 5m66A-6gbnA:
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.
6gbn -

(-) 		no annotation 12 LEU A  55
HIS A  56
THR A  58
ASP A 134
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.16A 5m66A-6gbnA:
58.1		 5m66A-6gbnA:
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		4 GLN A 364
THR A 365
GLU A 334
LEU A 369
 None
 1.39A 5m66A-1itkA:
undetectable		 5m66A-1itkA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mow CHIMERA OF HOMING
ENDONUCLEASE I-DMOI
AND DNA ENDONUCLEASE
I-CREI

(Chlamydomonas
reinhardtii;
Desulfurococcus
mucosus) 		PF00961
(LAGLIDADG_1)
PF14528
(LAGLIDADG_3) 		4 GLN A 189
THR A 186
GLU A 207
LEU A 138
 None
 1.41A 5m66A-1mowA:
undetectable		 5m66A-1mowA:
20.67
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.
1ps6 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF04166
(PdxA) 		4 GLN A   5
THR A   4
GLU A  33
LEU A 318
 None
 1.38A 5m66A-1ps6A:
2.2		 5m66A-1ps6A:
20.08
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.
1qh1 PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		4 GLN B 478
THR B 479
GLU B 227
LEU B 257
 None
 1.23A 5m66A-1qh1B:
3.6		 5m66A-1qh1B:
24.92
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.
1t9i DNA ENDONUCLEASE
I-CREI

(Chlamydomonas
reinhardtii) 		PF00961
(LAGLIDADG_1) 		4 GLN A  92
THR A  89
GLU A 110
LEU A  41
 None
 1.45A 5m66A-1t9iA:
undetectable		 5m66A-1t9iA:
16.95
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 GLN A 259
THR A 260
GLU A 192
LEU A 189
 NAD  A 600 (-3.5A)
NAD  A 600 (-4.4A)
NAD  A 600 (-2.7A)
None
 1.22A 5m66A-1x87A:
3.3		 5m66A-1x87A:
22.66
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.
2dh3 4F2 CELL-SURFACE
ANTIGEN HEAVY CHAIN

(Homo sapiens) 		PF00128
(Alpha-amylase) 		4 GLN A 499
THR A 498
GLU A 504
LEU A 508
 None
 1.32A 5m66A-2dh3A:
undetectable		 5m66A-2dh3A:
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.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 GLN A 264
THR A 265
GLU A 197
LEU A 194
 NAD  A3001 (-3.9A)
NAD  A3001 (-4.2A)
NAD  A3001 (-2.7A)
None
 1.18A 5m66A-2v7gA:
7.3		 5m66A-2v7gA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		4 GLN A 443
THR A 444
GLU A 207
LEU A 235
 None
 1.37A 5m66A-2vsaA:
undetectable		 5m66A-2vsaA:
19.26
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.
2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN

(Clostridium
botulinum) 		PF07952
(Toxin_trans) 		4 GLN B 557
THR B 584
GLU B 617
LEU B 773
 None
 1.43A 5m66A-2w2dB:
undetectable		 5m66A-2w2dB:
20.77
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.
2w56 VC0508

(Vibrio cholerae) 		PF10980
(DUF2787) 		4 GLN A  66
THR A  67
GLU A  75
LEU A  21
 None
 1.11A 5m66A-2w56A:
undetectable		 5m66A-2w56A:
14.93
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.
2yp2 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 GLN A 434
THR A 436
GLU A 432
LEU A 314
 None
 1.44A 5m66A-2yp2A:
undetectable		 5m66A-2yp2A:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yu1 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1A

(Homo sapiens) 		PF02373
(JmjC) 		4 GLN A 308
THR A 218
GLU A 315
LEU A 241
 None
 1.45A 5m66A-2yu1A:
undetectable		 5m66A-2yu1A:
20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  73
THR A  74
GLU A 218
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 (-4.2A)
 1.07A 5m66A-3ce6A:
60.8		 5m66A-3ce6A:
58.92
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.
3coi MITOGEN-ACTIVATED
PROTEIN KINASE 13

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLN A 272
THR A 239
GLU A 286
LEU A 217
 None
 1.31A 5m66A-3coiA:
undetectable		 5m66A-3coiA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e7n D-RIBOSE
HIGH-AFFINITY
TRANSPORT SYSTEM

(Salmonella
enterica) 		PF05025
(RbsD_FucU) 		4 GLN A 108
THR A 104
GLU A  72
LEU A  31
 None
None
None
EDO  A 300 (-4.3A)
 1.48A 5m66A-3e7nA:
undetectable		 5m66A-3e7nA:
14.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  56
THR A  57
GLU A 155
LEU A 343
 ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 4.0A)
 0.64A 5m66A-3g1uA:
57.0		 5m66A-3g1uA:
60.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  66
THR A  67
GLU A 199
LEU A 385
 RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 (-4.6A)
NAD  A 601 ( 4.1A)
 0.66A 5m66A-3glqA:
61.3		 5m66A-3glqA:
65.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  56
THR A  57
GLU A 155
LEU A 343
 ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
None
NAD  A 438 (-4.0A)
 0.30A 5m66A-3h9uA:
57.4		 5m66A-3h9uA:
58.85
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.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 GLN A 325
THR A 324
GLU A 312
LEU A 333
 None
 1.37A 5m66A-3kbhA:
undetectable		 5m66A-3kbhA:
21.44
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.
3lra DISKS LARGE HOMOLOG
1, MAGUK P55
SUBFAMILY MEMBER 7,
PROTEIN LIN-7
HOMOLOG C

(Homo sapiens) 		PF02828
(L27)
PF09058
(L27_1) 		4 GLN A   9
THR A   8
GLU A  54
LEU A 189
 None
 1.06A 5m66A-3lraA:
undetectable		 5m66A-3lraA:
19.28
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.
3m19 VARIABLE LYMPHOCYTE
RECEPTOR A DIVERSITY
REGION

(Petromyzon
marinus) 		PF13855
(LRR_8) 		4 GLN A 181
THR A 182
GLU A 134
LEU A 153
 None
 1.48A 5m66A-3m19A:
undetectable		 5m66A-3m19A:
19.87
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.
3mx9 PROTEIN SCV3V2(G19S)

(Chlamydomonas
reinhardtii) 		PF00961
(LAGLIDADG_1) 		4 GLN A 283
THR A 280
GLU A 301
LEU A 232
 None
 1.37A 5m66A-3mx9A:
undetectable		 5m66A-3mx9A:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  59
THR A  60
GLU A 192
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 (-4.3A)
 0.56A 5m66A-3n58A:
62.2		 5m66A-3n58A:
69.73
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.
3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Clostridium
perfringens) 		PF14010
(PEPcase_2) 		4 GLN A  61
THR A  59
GLU A 103
LEU A 111
 None
 1.41A 5m66A-3odmA:
3.0		 5m66A-3odmA:
20.34
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.
3ol2 PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		4 GLN B 141
THR B 140
GLU B 201
LEU B 165
 None
 1.32A 5m66A-3ol2B:
undetectable		 5m66A-3ol2B:
23.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  66
THR A  67
GLU A 205
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-4.2A)
 0.36A 5m66A-3oneA:
57.6		 5m66A-3oneA:
62.65
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.
3q4n UNCHARACTERIZED
PROTEIN MJ0754

(Methanocaldococcus
jannaschii) 		PF09968
(DUF2202) 		4 GLN A  55
THR A  56
GLU A  28
LEU A  65
 None
 1.44A 5m66A-3q4nA:
undetectable		 5m66A-3q4nA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zzu ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		4 GLN A 115
THR A 118
GLU A 610
LEU A 658
 None
 1.45A 5m66A-3zzuA:
3.4		 5m66A-3zzuA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3k BETA-GLUCOSIDASE

(Streptococcus
pyogenes) 		PF00232
(Glyco_hydro_1) 		4 GLN A 442
THR A 441
GLU A 436
LEU A  64
 None
 1.42A 5m66A-4b3kA:
undetectable		 5m66A-4b3kA:
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.
4bev COPPER EFFLUX ATPASE

(Legionella
pneumophila) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		4 GLN A 211
THR A 212
GLU A 650
LEU A 407
 None
 1.36A 5m66A-4bevA:
2.4		 5m66A-4bevA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dte SERPIN PEPTIDASE
INHIBITOR, CLADE E
(NEXIN, PLASMINOGEN
ACTIVATOR INHIBITOR
TYPE 1), MEMBER 1

(Danio rerio) 		PF00079
(Serpin) 		4 GLN A 355
THR A 359
GLU A  80
LEU A 161
 None
 1.08A 5m66A-4dteA:
undetectable		 5m66A-4dteA:
22.38
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.
4jed GLUTATHIONE
S-TRANSFERASE

(Methylobacterium
radiotolerans) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 GLN A 131
THR A 112
GLU A 177
LEU A 139
 None
 1.30A 5m66A-4jedA:
undetectable		 5m66A-4jedA:
19.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  62
THR A  63
GLU A 197
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 3.9A)
 0.15A 5m66A-4lvcA:
68.9		 5m66A-4lvcA:
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.
4qx8 LYSINE-SPECIFIC
DEMETHYLASE 2A

(Mus musculus) 		PF02373
(JmjC) 		4 GLN A 308
THR A 218
GLU A 315
LEU A 241
 None
 1.49A 5m66A-4qx8A:
undetectable		 5m66A-4qx8A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rzp ENGINEERED PROTEIN
OR366

(synthetic
construct) 		PF00514
(Arm)
PF13646
(HEAT_2) 		4 GLN A  19
THR A  12
GLU A  51
LEU A  68
 None
 1.50A 5m66A-4rzpA:
undetectable		 5m66A-4rzpA:
19.05
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.
4yrd CAPSULAR
POLYSACCHARIDE
SYNTHESIS ENZYME
CAP5F

(Staphylococcus
aureus) 		PF01370
(Epimerase) 		4 GLN A  34
THR A  35
GLU A  30
LEU A  53
 None
 1.26A 5m66A-4yrdA:
6.4		 5m66A-4yrdA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 GLN A 127
THR A 128
GLU A  82
LEU A  99
 None
 1.33A 5m66A-4z64A:
undetectable		 5m66A-4z64A:
20.80
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.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 GLN A 947
THR A 927
GLU A 860
LEU A 877
 None
 1.08A 5m66A-4zdnA:
undetectable		 5m66A-4zdnA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3x THERMOSTABLE
CARBOXYPEPTIDASE 1

(Fervidobacterium
islandicum) 		PF02074
(Peptidase_M32) 		4 GLN A 105
THR A 101
GLU A  39
LEU A  21
 None
 1.35A 5m66A-5e3xA:
undetectable		 5m66A-5e3xA:
23.70
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.
5ixm LPS-ASSEMBLY
LIPOPROTEIN LPTE
LPS-ASSEMBLY PROTEIN
LPTD

(Yersinia pestis) 		PF04390
(LptE)
PF04453
(OstA_C) 		4 GLN A 553
THR B  66
GLU B  77
LEU B 123
 None
 1.32A 5m66A-5ixmA:
undetectable		 5m66A-5ixmA:
19.90
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.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLN A 932
THR A 933
GLU A 448
LEU A 921
 None
 1.37A 5m66A-5j6sA:
undetectable		 5m66A-5j6sA:
19.38
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		4 GLN A1126
THR A1122
GLU A1203
LEU A1134
 None
 1.29A 5m66A-5jbeA:
undetectable		 5m66A-5jbeA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 GLN A 227
THR B 104
GLU A 236
LEU A 216
 None
 1.21A 5m66A-5mkkA:
undetectable		 5m66A-5mkkA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		4 GLN A1009
THR A1011
GLU A 838
LEU A1001
 None
 1.41A 5m66A-5t8vA:
undetectable		 5m66A-5t8vA:
15.93
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.
5u1b MTRE
PROTEIN,FERRITIN
CHIMERA

(Helicobacter
pylori;
Neisseria
gonorrhoeae) 		no annotation 4 GLN A  69
THR A  71
GLU A  12
LEU A  57
 None
 1.40A 5m66A-5u1bA:
undetectable		 5m66A-5u1bA:
18.05
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.
5y6t ENDO-1,4-BETA-MANNAN
ASE

(Eisenia fetida) 		no annotation 4 GLN A  44
THR A  59
GLU A  64
LEU A  78
 None
 1.45A 5m66A-5y6tA:
undetectable		 5m66A-5y6tA:
10.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  62
THR A  63
GLU A 161
LEU A 349
 ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 (-2.5A)
NAD  A 500 ( 4.3A)
 1.07A 5m66A-6aphA:
58.1		 5m66A-6aphA:
60.62
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.
6cj7 SERPIN-12

(Manduca sexta) 		no annotation 4 GLN A 302
THR A 285
GLU A 272
LEU A  34
 None
 1.39A 5m66A-6cj7A:
undetectable		 5m66A-6cj7A:
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.
6cj7 SERPIN-12

(Manduca sexta) 		no annotation 4 GLN A 302
THR A 285
GLU A 272
LEU A  35
 None
 1.46A 5m66A-6cj7A:
undetectable		 5m66A-6cj7A:
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.
6f3m -

(-) 		no annotation 4 GLN B  65
THR B  66
GLU B 164
LEU B 373
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ADN  B 502 (-3.6A)
NAD  B 501 ( 3.9A)
 0.21A 5m66A-6f3mB:
53.4		 5m66A-6f3mB:
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.
6gbn -

(-) 		no annotation 4 GLN A  60
THR A  61
GLU A 159
LEU A 347
 NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 (-3.9A)
NAD  A 502 (-3.9A)
 0.18A 5m66A-6gbnA:
58.1		 5m66A-6gbnA:
undetectable