SIMILAR PATTERNS OF AMINO ACIDS FOR 3CE6_D_ADND500

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
 1.28A 3ce6D-1auaA:
undetectable		 3ce6D-1auaA:
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.
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
 1.39A 3ce6D-1gq7A:
undetectable		 3ce6D-1gq7A:
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.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 HIS A  79
ASP A 168
THR A 172
LEU A 131
MET A 121
 ZN  A1362 ( 3.2A)
ZN  A1362 (-2.7A)
NAJ  A1361 (-3.4A)
OCA  A1360 (-4.8A)
None
 1.47A 3ce6D-1h2bA:
4.7		 3ce6D-1h2bA:
24.34
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.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 HIS A 162
THR A 256
GLU A 113
THR A 111
HIS A 230
 None
 1.49A 3ce6D-1hc7A:
undetectable		 3ce6D-1hc7A:
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.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		5 HIS A 126
ASP A 234
THR A 244
GLY A 142
HIS A 141
 MN  A 500 ( 3.2A)
MN  A 500 ( 2.1A)
None
S2C  A 551 ( 3.9A)
S2C  A 551 (-3.7A)
 1.47A 3ce6D-1p8rA:
2.6		 3ce6D-1p8rA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.36A 3ce6D-1rrmA:
2.7		 3ce6D-1rrmA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rvk ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 HIS A 171
ASP A 206
GLU A 232
LEU A 332
GLY A 331
 None
MG  A 999 (-2.7A)
MG  A 999 (-3.1A)
None
None
 1.21A 3ce6D-1rvkA:
undetectable		 3ce6D-1rvkA:
20.66
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.
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
 1.41A 3ce6D-1uzgA:
undetectable		 3ce6D-1uzgA:
20.31
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) 		11 HIS A  54
THR A  56
ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 392
GLY A 397
HIS A 398
MET A 403
PHE A 407
 ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
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
 0.58A 3ce6D-1v8bA:
58.1		 3ce6D-1v8bA:
54.58
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) 		11 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
 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
 0.34A 3ce6D-1v8bA:
58.1		 3ce6D-1v8bA:
54.58
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 HIS A 275
THR A 287
ASP A 414
GLU A 416
GLY A 276
 None
None
CA  A1778 (-2.2A)
CA  A1778 (-3.2A)
None
 1.30A 3ce6D-2cn3A:
undetectable		 3ce6D-2cn3A:
20.63
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.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 501
THR A 472
GLU A 506
THR A 148
HIS A 448
 C2O  A 602 (-3.4A)
None
C2O  A 602 ( 4.9A)
None
C2O  A 602 (-3.3A)
 1.37A 3ce6D-2fqdA:
undetectable		 3ce6D-2fqdA:
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.
2ivp O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Pyrococcus
abyssi) 		PF00814
(Peptidase_M22) 		5 GLU A   7
THR A   9
GLY A 252
HIS A 111
MET A 289
 None
ATP  A1327 (-4.4A)
ATP  A1327 ( 4.7A)
FE2  A1326 (-3.6A)
None
 1.48A 3ce6D-2ivpA:
undetectable		 3ce6D-2ivpA:
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 THR A 275
ASP A 300
GLU A 299
LYS A 205
ASP A 201
 None
 1.20A 3ce6D-2pqdA:
undetectable		 3ce6D-2pqdA:
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.
2pts ADENYLOSUCCINATE
LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		5 THR A 246
ASP A 336
THR A 338
LYS A 327
HIS A 251
 None
 1.50A 3ce6D-2ptsA:
undetectable		 3ce6D-2ptsA:
24.51
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.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		5 ASP A 298
GLU A  25
THR A 301
ASP A  61
GLY A 103
 MG  A 349 (-2.6A)
MG  A 349 (-3.0A)
MG  A 349 (-3.4A)
MG  A 348 (-2.7A)
None
 1.20A 3ce6D-2qtyA:
undetectable		 3ce6D-2qtyA:
20.90
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.
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)
 1.31A 3ce6D-2wabA:
5.7		 3ce6D-2wabA:
22.35
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.
2weu TRYPTOPHAN
5-HALOGENASE

(Streptomyces
rugosporus) 		PF04820
(Trp_halogenase) 		5 HIS A  54
GLU A 366
LYS A 370
LEU A 152
GLY A 153
 None
 1.42A 3ce6D-2weuA:
undetectable		 3ce6D-2weuA:
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.
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
 1.29A 3ce6D-2xsrA:
undetectable		 3ce6D-2xsrA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 461
THR A 432
GLU A 466
THR A 139
HIS A 396
 C2O  A 702 (-3.5A)
None
C2O  A 702 ( 4.5A)
None
C2O  A 702 ( 3.3A)
 1.42A 3ce6D-3aw5A:
undetectable		 3ce6D-3aw5A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 THR A 531
ASP A 445
LEU A 533
GLY A 509
PHE A 449
 None
 1.34A 3ce6D-3azqA:
undetectable		 3ce6D-3azqA:
22.89
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.
3f4n PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF03740
(PdxJ) 		5 THR A 156
GLU A  72
THR A  43
GLY A 194
PHE A 133
 None
PXP  A 501 (-3.0A)
None
PXP  A 501 (-3.5A)
PXP  A 501 (-3.3A)
 1.48A 3ce6D-3f4nA:
undetectable		 3ce6D-3f4nA:
20.00
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 HIS A  52
THR A  54
ASP A 130
GLU A 155
THR A 156
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-4.1A)
ADN  A 438 (-3.8A)
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
 0.70A 3ce6D-3g1uA:
54.0		 3ce6D-3g1uA:
54.40
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) 		5 HIS A  52
THR A  57
ASP A 130
THR A 156
MET A 357
 ADN  A 438 (-4.0A)
ADN  A 438 (-4.6A)
ADN  A 438 (-4.1A)
NAD  A 439 ( 3.0A)
ADN  A 438 (-3.7A)
 1.44A 3ce6D-3g1uA:
54.0		 3ce6D-3g1uA:
54.40
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 ASP A 139
GLU A 199
THR A 200
LYS A 229
ASP A 233
LEU A 385
HIS A 394
 RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
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)
 1.37A 3ce6D-3glqA:
59.1		 3ce6D-3glqA:
57.09
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 HIS A  62
THR A  64
ASP A 139
GLU A 199
THR A 200
LYS A 229
ASP A 233
LEU A 388
GLY A 393
HIS A 394
MET A 399
PHE A 403
 RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
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
 0.49A 3ce6D-3glqA:
59.1		 3ce6D-3glqA:
57.09
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)
 1.39A 3ce6D-3glqA:
59.1		 3ce6D-3glqA:
57.09
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 HIS A  52
THR A  54
ASP A 130
GLU A 155
THR A 156
LYS A 185
ASP A 189
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
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
 0.54A 3ce6D-3h9uA:
56.0		 3ce6D-3h9uA:
56.91
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)
 1.37A 3ce6D-3h9uA:
56.0		 3ce6D-3h9uA:
56.91
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.
3k6j PROTEIN F01G10.3,
CONFIRMED BY
TRANSCRIPT EVIDENCE

(Caenorhabditis
elegans) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLU A 287
LYS A 276
HIS A 227
MET A 272
PHE A 269
 None
 1.38A 3ce6D-3k6jA:
3.9		 3ce6D-3k6jA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kl9 GLUTAMYL
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF05343
(Peptidase_M42) 		5 GLU A 213
THR A 293
ASP A 181
GLY A  90
HIS A 318
 ZN  A 355 (-3.6A)
None
ZN  A 356 ( 2.4A)
None
ZN  A 356 (-3.5A)
 1.34A 3ce6D-3kl9A:
undetectable		 3ce6D-3kl9A:
23.56
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 HIS A  55
ASP A 132
THR A 193
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-4.0A)
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)
 1.42A 3ce6D-3n58A:
59.1		 3ce6D-3n58A:
60.56
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 HIS A  55
THR A  57
ASP A 132
GLU A 192
THR A 193
LYS A 222
ASP A 226
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
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
 0.51A 3ce6D-3n58A:
59.1		 3ce6D-3n58A:
60.56
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)
 1.26A 3ce6D-3n58A:
59.1		 3ce6D-3n58A:
60.56
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.
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
 1.31A 3ce6D-3nioA:
2.2		 3ce6D-3nioA:
22.09
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 HIS A  62
THR A  64
ASP A 139
GLU A 205
THR A 206
LYS A 235
ASP A 239
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
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)
 0.52A 3ce6D-3oneA:
58.6		 3ce6D-3oneA:
59.52
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 3ce6D-3oneA:
58.6		 3ce6D-3oneA:
59.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.31A 3ce6D-3qvfA:
2.3		 3ce6D-3qvfA:
20.50
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.
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)
 1.33A 3ce6D-3qvfA:
2.3		 3ce6D-3qvfA:
20.50
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.
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
 1.42A 3ce6D-3rreA:
5.7		 3ce6D-3rreA:
22.65
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.
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)
 1.27A 3ce6D-3sl1A:
2.0		 3ce6D-3sl1A:
22.08
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.
4dyo ASPARTYL
AMINOPEPTIDASE

(Homo sapiens) 		PF02127
(Peptidase_M18) 		5 GLU A 301
THR A 416
ASP A 264
GLY A 123
HIS A 440
 SD4  A 504 (-2.7A)
None
ZN  A 502 (-2.4A)
None
ZN  A 501 (-3.3A)
 1.39A 3ce6D-4dyoA:
undetectable		 3ce6D-4dyoA:
21.80
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.
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)
 1.34A 3ce6D-4hxqA:
undetectable		 3ce6D-4hxqA:
21.95
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.
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)
 1.32A 3ce6D-4iu4A:
2.3		 3ce6D-4iu4A:
20.04
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.
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)
 1.28A 3ce6D-4ixuA:
undetectable		 3ce6D-4ixuA:
20.60
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 HIS A  58
THR A  60
ASP A 135
GLU A 197
THR A 198
LYS A 227
ASP A 231
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
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)
 0.52A 3ce6D-4lvcA:
59.7		 3ce6D-4lvcA:
58.92
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 3ce6D-4lvcA:
59.7		 3ce6D-4lvcA:
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.
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
 1.36A 3ce6D-4mo9A:
2.6		 3ce6D-4mo9A:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.36A 3ce6D-4q3rA:
2.7		 3ce6D-4q3rA:
22.62
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.
4wwv AMINOPEPTIDASE FROM
FAMILY M42

(Desulfurococcus
amylolyticus) 		PF05343
(Peptidase_M42) 		5 GLU A 214
THR A 304
ASP A 184
GLY A  94
HIS A 329
 None
 1.32A 3ce6D-4wwvA:
undetectable		 3ce6D-4wwvA:
23.44
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.
5d79 BERBERINE BRIDGE
ENZYME-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLU A 426
THR A 401
LEU A 197
GLY A 186
PHE A 371
 None
 1.42A 3ce6D-5d79A:
undetectable		 3ce6D-5d79A:
21.04
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.
5ds0 PEPTIDASE M42

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF05343
(Peptidase_M42) 		5 GLU A 214
THR A 300
ASP A 180
GLY A  90
HIS A 325
 CO  A 402 (-3.4A)
None
CO  A 401 ( 2.3A)
None
CO  A 401 (-3.3A)
 1.33A 3ce6D-5ds0A:
undetectable		 3ce6D-5ds0A:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hmm EXODEOXYRIBONUCLEASE

(Escherichia
virus T5) 		PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N) 		5 THR A 158
ASP A 130
GLU A 128
LYS A  83
ASP A 204
 None
MG  A 302 ( 2.7A)
None
None
MG  A 304 ( 4.5A)
 1.43A 3ce6D-5hmmA:
2.7		 3ce6D-5hmmA:
23.22
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.
5hmm EXODEOXYRIBONUCLEASE

(Escherichia
virus T5) 		PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N) 		5 THR A 158
GLU A 128
LYS A  83
ASP A 204
GLY A 154
 None
None
None
MG  A 304 ( 4.5A)
None
 1.34A 3ce6D-5hmmA:
2.7		 3ce6D-5hmmA:
23.22
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.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 HIS A 412
GLU A 304
THR A 322
ASP A 238
GLY A  69
 None
AHR  A 721 ( 3.8A)
None
AHR  A 720 ( 4.9A)
None
 1.38A 3ce6D-5ho9A:
undetectable		 3ce6D-5ho9A:
22.08
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		5 HIS A 412
GLU A 304
THR A 322
ASP A 238
GLY A  69
 None
TRS  A 903 (-2.9A)
None
TRS  A 903 (-2.7A)
None
 1.46A 3ce6D-5hp6A:
undetectable		 3ce6D-5hp6A:
20.20
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 HIS A  53
THR A  55
ASP A 137
GLU A 211
THR A 212
LYS A 241
ASP A 245
LEU A 404
GLY A 409
HIS A 410
MET A 415
PHE A 419
 SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
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)
 0.60A 3ce6D-5utuA:
53.7		 3ce6D-5utuA:
49.14
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)
 1.42A 3ce6D-5utuA:
53.7		 3ce6D-5utuA:
49.14
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 HIS A  59
THR A  61
ASP A 136
GLU A 197
THR A 198
LYS A 227
ASP A 231
LEU A 389
GLY A 394
HIS A 395
MET A 400
PHE A 404
 ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
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)
 0.51A 3ce6D-5v96A:
59.0		 3ce6D-5v96A:
58.12
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) 		6 HIS A  59
THR A  64
ASP A 136
THR A 198
ASP A 231
HIS A 395
 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)
ADN  A 502 ( 3.4A)
 1.22A 3ce6D-5v96A:
59.0		 3ce6D-5v96A:
58.12
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)
 1.28A 3ce6D-5v96A:
59.0		 3ce6D-5v96A:
58.12
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) 		8 HIS A  55
THR A  57
ASP A 131
GLU A 156
THR A 157
LYS A 186
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
None
9W4  A 502 (-3.6A)
None
 0.83A 3ce6D-5w4bA:
46.2		 3ce6D-5w4bA:
55.33
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) 		8 HIS A  55
THR A  57
ASP A 131
THR A 157
LYS A 186
ASP A 190
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.78A 3ce6D-5w4bA:
46.2		 3ce6D-5w4bA:
55.33
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)
 1.41A 3ce6D-5w4bA:
46.2		 3ce6D-5w4bA:
55.33
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
 0.97A 3ce6D-5w4bA:
46.2		 3ce6D-5w4bA:
55.33
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)
 0.95A 3ce6D-5w4bA:
46.2		 3ce6D-5w4bA:
55.33
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 THR A  57
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
 9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.99A 3ce6D-5w4bA:
46.2		 3ce6D-5w4bA:
55.33
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)
 1.17A 3ce6D-5w4bA:
46.2		 3ce6D-5w4bA:
55.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.22A 3ce6D-5xn8A:
2.4		 3ce6D-5xn8A:
21.97
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 ASP A 136
GLU A 161
THR A 162
LYS A 191
ASP A 195
LEU A 349
HIS A 358
 ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
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)
 1.23A 3ce6D-6aphA:
56.4		 3ce6D-6aphA:
54.40
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 HIS A  58
THR A  60
ASP A 136
GLU A 161
THR A 162
LYS A 191
ASP A 195
LEU A 352
GLY A 357
HIS A 358
MET A 363
PHE A 367
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
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
 0.19A 3ce6D-6aphA:
56.4		 3ce6D-6aphA:
54.40
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)
 1.24A 3ce6D-6aphA:
56.4		 3ce6D-6aphA:
54.40
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.
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
 1.35A 3ce6D-6btmB:
2.2		 3ce6D-6btmB:
10.45
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.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 5 HIS A 491
THR A 463
GLU A 496
THR A 138
HIS A 439
 None
None
None
None
EDO  A 602 (-3.8A)
 1.48A 3ce6D-6evgA:
undetectable		 3ce6D-6evgA:
10.40
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.
6f3m -

(-) 		no annotation 12 HIS B  61
THR B  63
ASP B 139
GLU B 164
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)
ADN  B 502 (-3.6A)
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)
 0.52A 3ce6D-6f3mB:
52.1		 3ce6D-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 5 HIS B  61
THR B  66
ASP B 139
THR B 165
ASP B 198
 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)
 1.29A 3ce6D-6f3mB:
52.1		 3ce6D-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 12 HIS A  56
THR A  58
ASP A 134
GLU A 159
THR A 160
LYS A 189
ASP A 193
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
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
 0.51A 3ce6D-6gbnA:
55.6		 3ce6D-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 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 3ce6D-6gbnA:
55.6		 3ce6D-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.
1k6m 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE
2-PHOSPHATASE

(Homo sapiens) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		4 LEU A  65
GLN A 236
THR A 239
LEU A 119
 None
 1.16A 3ce6D-1k6mA:
undetectable		 3ce6D-1k6mA:
23.06
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		4 LEU A 345
GLN A 277
THR A 276
LEU A 145
 None
 1.25A 3ce6D-1kplA:
undetectable		 3ce6D-1kplA:
22.14
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 LEU A 454
GLN A 473
THR A 470
LEU A 513
 None
 1.19A 3ce6D-1n5xA:
undetectable		 3ce6D-1n5xA:
17.75
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.
1tj5 SUCROSE-PHOSPHATASE

(Synechocystis
sp. PCC 6803) 		PF05116
(S6PP) 		4 LEU A  64
GLN A 168
THR A 167
LEU A 157
 None
 1.22A 3ce6D-1tj5A:
4.2		 3ce6D-1tj5A:
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.
1w7c LYSYL OXIDASE

(Komagataella
pastoris) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF09248
(DUF1965) 		4 LEU A 301
THR A 237
HIS A 520
LEU A 523
 None
 1.20A 3ce6D-1w7cA:
undetectable		 3ce6D-1w7cA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xk5 SNURPORTIN-1

(Homo sapiens) 		no annotation 4 LEU A 273
GLN A 263
THR A 264
LEU A 115
 None
 0.93A 3ce6D-1xk5A:
undetectable		 3ce6D-1xk5A:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z85 HYPOTHETICAL PROTEIN
TM1380

(Thermotoga
maritima) 		PF04452
(Methyltrans_RNA) 		4 LEU A 188
THR A 192
HIS A 105
LEU A 141
 None
 1.06A 3ce6D-1z85A:
2.5		 3ce6D-1z85A:
19.44
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.
1zud ADENYLYLTRANSFERASE
THIF

(Escherichia
coli) 		PF00899
(ThiF) 		4 LEU 1 100
GLN 1  93
THR 1  92
LEU 1  36
 None
 1.18A 3ce6D-1zud1:
6.0		 3ce6D-1zud1:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1

(Homo sapiens) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		4 LEU A  22
GLN A  64
THR A  65
LEU A  34
 None
 1.05A 3ce6D-2c4kA:
2.7		 3ce6D-2c4kA:
20.87
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.
2fy6 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA/MSRB

(Neisseria
meningitidis) 		PF08534
(Redoxin) 		4 LEU A  91
GLN A  76
THR A  77
LEU A 167
 None
SO4  A 315 ( 3.8A)
None
None
 1.25A 3ce6D-2fy6A:
undetectable		 3ce6D-2fy6A:
14.66
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.
2hpw GREEN FLUORESCENT
PROTEIN

(Clytia gregaria) 		PF01353
(GFP) 		4 GLN A  89
THR A  88
HIS A 200
LEU A 202
 None
 1.09A 3ce6D-2hpwA:
undetectable		 3ce6D-2hpwA:
18.75
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 LEU A 653
GLN A 681
HIS A 536
LEU A 532
 None
 1.20A 3ce6D-2iujA:
undetectable		 3ce6D-2iujA:
21.61
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.
2pff FATTY ACID SYNTHASE
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF16073
(SAT) 		4 LEU B 277
THR B 271
HIS B 428
LEU B 370
 None
 1.25A 3ce6D-2pffB:
undetectable		 3ce6D-2pffB:
8.91
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.
2qzu PUTATIVE SULFATASE
YIDJ

(Bacteroides
fragilis) 		PF00884
(Sulfatase) 		4 GLN A 380
THR A 378
HIS A 164
LEU A 109
 None
 1.09A 3ce6D-2qzuA:
undetectable		 3ce6D-2qzuA:
23.04
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.
2ve3 PUTATIVE CYTOCHROME
P450 120

(Synechocystis
sp. PCC 6803) 		PF00067
(p450) 		4 LEU A  88
GLN A  96
THR A  95
LEU A 204
 None
 1.19A 3ce6D-2ve3A:
undetectable		 3ce6D-2ve3A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w4o CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE IV

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 170
GLN A 147
HIS A 162
LEU A 155
 None
 1.23A 3ce6D-2w4oA:
undetectable		 3ce6D-2w4oA:
22.09
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.
2wtk SERINE/THREONINE-PRO
TEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU C 182
GLN C 159
HIS C 174
LEU C 167
 None
 1.25A 3ce6D-2wtkC:
undetectable		 3ce6D-2wtkC:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ypf AVRBS3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		4 LEU A 545
GLN A 515
THR A 513
HIS A 525
 None
 1.13A 3ce6D-2ypfA:
undetectable		 3ce6D-2ypfA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ypf AVRBS3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		4 LEU A 647
GLN A 617
THR A 615
HIS A 627
 None
 1.25A 3ce6D-2ypfA:
undetectable		 3ce6D-2ypfA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF13469
(Sulfotransfer_3) 		4 LEU A 338
GLN A 108
THR A 342
LEU A  89
 None
 1.09A 3ce6D-2z6vA:
undetectable		 3ce6D-2z6vA:
22.43
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.
2zmc DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 764
THR A 728
HIS A 788
LEU A 785
 None
 0.87A 3ce6D-2zmcA:
undetectable		 3ce6D-2zmcA:
21.02
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.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 384
THR A 328
HIS A 425
LEU A 431
 None
 1.21A 3ce6D-3b0qA:
undetectable		 3ce6D-3b0qA:
20.79
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.
3b9j XANTHINE OXIDASE

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 LEU B 454
GLN B 473
THR B 470
LEU B 513
 None
 1.17A 3ce6D-3b9jB:
undetectable		 3ce6D-3b9jB:
20.93
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.
3bzb UNCHARACTERIZED
PROTEIN

(Cyanidioschyzon
merolae) 		PF10294
(Methyltransf_16) 		4 LEU A 155
GLN A 104
THR A 159
LEU A 119
 None
 1.18A 3ce6D-3bzbA:
6.4		 3ce6D-3bzbA:
20.60
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.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		4 LEU D 384
THR D 328
HIS D 425
LEU D 431
 None
 1.14A 3ce6D-3dzuD:
undetectable		 3ce6D-3dzuD:
21.97
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.
3e3m TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Ruegeria
pomeroyi) 		PF13377
(Peripla_BP_3) 		4 LEU A 101
GLN A  88
THR A  91
LEU A  78
 None
 1.09A 3ce6D-3e3mA:
2.2		 3ce6D-3e3mA:
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.
3edv SPECTRIN BETA CHAIN,
BRAIN 1

(Homo sapiens) 		PF00435
(Spectrin) 		4 LEU A1897
GLN A1854
HIS A1825
LEU A1828
 None
 1.09A 3ce6D-3edvA:
undetectable		 3ce6D-3edvA:
22.35
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.
3eq1 PORPHOBILINOGEN
DEAMINASE

(Homo sapiens) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 LEU A 232
GLN A 314
THR A 319
LEU A  85
 None
 1.13A 3ce6D-3eq1A:
undetectable		 3ce6D-3eq1A:
22.82
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.
3etl DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
maripaludis) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 LEU A 253
GLN A 117
THR A 118
LEU A 288
 None
 1.12A 3ce6D-3etlA:
undetectable		 3ce6D-3etlA:
23.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhn PROTEIN TRANSPORT
PROTEIN TIP20

(Saccharomyces
cerevisiae) 		PF04437
(RINT1_TIP1) 		4 LEU A 207
GLN A 162
HIS A 122
LEU A 212
 None
 1.25A 3ce6D-3fhnA:
undetectable		 3ce6D-3fhnA:
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.
3fxi TOLL-LIKE RECEPTOR 4

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 401
GLN A 393
THR A 398
LEU A 446
 None
 1.23A 3ce6D-3fxiA:
undetectable		 3ce6D-3fxiA:
21.05
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) 		5 LEU A  51
GLN A  56
THR A  57
HIS A 300
LEU A 343
 None
ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
ADN  A 438 ( 4.0A)
NAD  A 439 ( 4.0A)
 0.22A 3ce6D-3g1uA:
54.0		 3ce6D-3g1uA:
54.40
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) 		5 LEU A  61
GLN A  66
THR A  67
HIS A 344
LEU A 385
 None
RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 ( 3.5A)
NAD  A 601 ( 4.1A)
 0.24A 3ce6D-3glqA:
59.1		 3ce6D-3glqA:
57.09
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 LEU A  51
GLN A  56
THR A  57
HIS A 300
LEU A 343
 None
ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
None
NAD  A 438 (-4.0A)
 0.49A 3ce6D-3h9uA:
56.0		 3ce6D-3h9uA:
56.91
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.
3hdi PROCESSING PROTEASE

(Bacillus
halodurans) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 LEU A 269
GLN A 315
THR A 317
LEU A 296
 None
 1.22A 3ce6D-3hdiA:
undetectable		 3ce6D-3hdiA:
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.
3hks EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5A-2

(Arabidopsis
thaliana) 		PF01287
(eIF-5a) 		4 LEU A 116
GLN A 125
THR A 123
LEU A 103
 None
 1.08A 3ce6D-3hksA:
undetectable		 3ce6D-3hksA:
13.73
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.
3hp0 PUTATIVE POLYKETIDE
BIOSYNTHESIS
ENOYL-COA HYDRATASE
HOMOLOG PKSH

(Bacillus
subtilis) 		PF00378
(ECH_1) 		4 LEU A  56
GLN A  97
THR A 122
LEU A  89
 None
 1.13A 3ce6D-3hp0A:
undetectable		 3ce6D-3hp0A:
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.
3kex RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 773
GLN A 828
HIS A 783
LEU A 787
 None
 0.90A 3ce6D-3kexA:
undetectable		 3ce6D-3kexA:
20.16
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.
3kl0 GLUCURONOXYLANASE
XYNC

(Bacillus
subtilis) 		PF17189
(Glyco_hydro_30C) 		4 LEU A 203
GLN A 210
THR A 206
LEU A 199
 None
 1.13A 3ce6D-3kl0A:
undetectable		 3ce6D-3kl0A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kl0 GLUCURONOXYLANASE
XYNC

(Bacillus
subtilis) 		PF17189
(Glyco_hydro_30C) 		4 LEU A 203
GLN A 210
THR A 206
LEU A 225
 None
 1.17A 3ce6D-3kl0A:
undetectable		 3ce6D-3kl0A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kq4 GASTRIC INTRINSIC
FACTOR

(Homo sapiens) 		PF01122
(Cobalamin_bind)
PF14478
(DUF4430) 		4 LEU A  99
GLN A  78
THR A  76
LEU A  87
 None
 1.19A 3ce6D-3kq4A:
undetectable		 3ce6D-3kq4A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l06 N-ACETYLORNITHINE
CARBAMOYLTRANSFERASE

(Xanthomonas
campestris) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 LEU A 108
GLN A 326
HIS A   5
LEU A   7
 None
 1.04A 3ce6D-3l06A:
2.1		 3ce6D-3l06A:
22.00
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 LEU A  54
GLN A  59
THR A  60
HIS A 337
LEU A 378
 None
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
 0.35A 3ce6D-3n58A:
59.1		 3ce6D-3n58A:
60.56
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.
3ns1 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 LEU B 454
GLN B 473
THR B 470
LEU B 513
 None
 1.13A 3ce6D-3ns1B:
undetectable		 3ce6D-3ns1B:
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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 LEU A 501
GLN A 569
THR A 517
LEU A 270
 None
 1.17A 3ce6D-3o98A:
2.2		 3ce6D-3o98A:
23.21
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 LEU A  61
GLN A  66
THR A  67
HIS A 350
LEU A 395
 None
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-4.2A)
 0.78A 3ce6D-3oneA:
58.6		 3ce6D-3oneA:
59.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oz6 MITOGEN-ACTIVATED
PROTEIN KINASE 1,
SERINE/THREONINE
PROTEIN KINASE

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 LEU A 217
GLN A 117
HIS A 126
LEU A 125
 None
 1.16A 3ce6D-3oz6A:
undetectable		 3ce6D-3oz6A:
21.30
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.
3pqy ALPHA CHAIN OF THE
6218-TCR

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 LEU D  81
THR D  54
HIS D  25
LEU D 106
 None
 1.21A 3ce6D-3pqyD:
undetectable		 3ce6D-3pqyD:
14.95
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.
3s6k ACETYLGLUTAMATE
KINASE

(Xanthomonas
campestris) 		PF00696
(AA_kinase)
PF04768
(NAT) 		4 LEU A 121
GLN A 129
HIS A  78
LEU A  53
 None
 1.14A 3ce6D-3s6kA:
undetectable		 3ce6D-3s6kA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgz HYDROXYACID OXIDASE
2

(Rattus
norvegicus) 		PF01070
(FMN_dh) 		4 LEU A 218
GLN A 142
THR A 216
LEU A 112
 None
 1.06A 3ce6D-3sgzA:
undetectable		 3ce6D-3sgzA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3srz TOXIN A

(Clostridioides
difficile) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		4 LEU A 453
GLN A 256
HIS A 431
LEU A 434
 None
 1.21A 3ce6D-3srzA:
undetectable		 3ce6D-3srzA:
21.99
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.
3ugm TAL EFFECTOR
AVRBS3/PTHA

(Xanthomonas
oryzae) 		PF03377
(TAL_effector) 		4 LEU A 612
GLN A 583
THR A 580
HIS A 592
 None
 1.18A 3ce6D-3ugmA:
undetectable		 3ce6D-3ugmA:
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.
3ugm TAL EFFECTOR
AVRBS3/PTHA

(Xanthomonas
oryzae) 		PF03377
(TAL_effector) 		4 LEU A 884
GLN A 854
THR A 852
HIS A 864
 None
 1.13A 3ce6D-3ugmA:
undetectable		 3ce6D-3ugmA:
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.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 LEU A 238
GLN A 286
THR A 284
HIS A 245
 None
 1.20A 3ce6D-3wjoA:
undetectable		 3ce6D-3wjoA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h63 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17

(Schizosaccharomyces
pombe) 		PF10156
(Med17) 		4 LEU Q 347
GLN Q 263
THR Q 349
HIS Q 394
 None
 1.18A 3ce6D-4h63Q:
undetectable		 3ce6D-4h63Q:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k46 ADENYLATE KINASE

(Photobacterium
profundum) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 LEU A 178
GLN A 174
THR A 175
LEU A  65
 None
 1.18A 3ce6D-4k46A:
2.1		 3ce6D-4k46A:
19.21
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.
4l0k DRAIII

(Deinococcus
radiophilus) 		no annotation 4 LEU A 129
THR A 155
HIS A  45
LEU A  41
 None
 1.04A 3ce6D-4l0kA:
undetectable		 3ce6D-4l0kA:
19.39
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 LEU A  57
GLN A  62
THR A  63
HIS A 342
LEU A 383
 None
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
NAD  A 503 ( 3.9A)
 0.61A 3ce6D-4lvcA:
59.7		 3ce6D-4lvcA:
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		4 LEU A 453
GLN A 256
HIS A 431
LEU A 434
 None
 1.13A 3ce6D-4r04A:
2.9		 3ce6D-4r04A:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk2 PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF01547
(SBP_bac_1) 		4 GLN A 274
THR A 273
HIS A 197
LEU A 195
 None
 1.19A 3ce6D-4rk2A:
undetectable		 3ce6D-4rk2A:
22.99
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.
4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		4 LEU A 179
GLN A 169
THR A 170
LEU A 131
 None
 1.13A 3ce6D-4rxlA:
undetectable		 3ce6D-4rxlA:
19.21
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.
4tq2 PUTATIVE
PHYCOERYTHRIN LYASE

(Guillardia
theta) 		PF09367
(CpeS) 		4 LEU A 165
THR A 167
HIS A  21
LEU A  28
 None
 1.24A 3ce6D-4tq2A:
undetectable		 3ce6D-4tq2A:
18.06
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.
4ui9 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 2

(Homo sapiens) 		PF00888
(Cullin) 		4 LEU N 428
GLN N 437
THR N 434
LEU N 386
 None
 1.22A 3ce6D-4ui9N:
undetectable		 3ce6D-4ui9N:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uys FLOCCULATION PROTEIN
FLO11

(Saccharomyces
cerevisiae) 		PF10182
(Flo11) 		4 LEU A  63
GLN A 149
THR A 177
LEU A 110
 None
 1.25A 3ce6D-4uysA:
undetectable		 3ce6D-4uysA:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		4 GLN A  93
THR A  88
HIS A  27
LEU A  26
 None
 1.25A 3ce6D-4wctA:
2.0		 3ce6D-4wctA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wem ANTI-F4+ETEC
BACTERIA VHH
VARIABLE REGION

(Lama glama) 		PF07686
(V-set) 		4 LEU B 820
GLN B 916
THR B 915
LEU B 885
 None
 1.19A 3ce6D-4wemB:
undetectable		 3ce6D-4wemB:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wss HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 GLN A  15
THR A  14
HIS A 439
LEU A 436
 None
 1.11A 3ce6D-4wssA:
undetectable		 3ce6D-4wssA:
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.
4zjg ALPHA-2-MACROGLOBULI
N

(Escherichia
coli) 		PF11974
(MG1) 		4 LEU A 344
GLN A 333
THR A 332
HIS A 341
 None
None
None
PGE  A 402 (-4.2A)
 1.02A 3ce6D-4zjgA:
undetectable		 3ce6D-4zjgA:
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1
THE
ANAPHASE-PROMOTING
COMPLEX CHAIN R

(Homo sapiens) 		PF00400
(WD40)
PF12859
(ANAPC1)
PF12894
(ANAPC4_WD40) 		4 LEU R  99
THR A1190
HIS A1231
LEU A1209
 None
 1.19A 3ce6D-5a31R:
undetectable		 3ce6D-5a31R:
20.89
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 2

(Homo sapiens) 		PF00888
(Cullin)
PF08672
(ANAPC2) 		4 LEU N 428
GLN N 437
THR N 434
LEU N 386
 None
 1.21A 3ce6D-5a31N:
undetectable		 3ce6D-5a31N:
18.40
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON

(Schizosaccharomyces
pombe) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		4 LEU I 252
GLN I 190
HIS I 209
LEU I 212
 None
 1.19A 3ce6D-5b04I:
undetectable		 3ce6D-5b04I:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b69 GERANYLGERANYLGLYCER
YL PHOSPHATE
SYNTHASE

(Thermoplasma
acidophilum) 		PF01884
(PcrB) 		4 LEU A  73
THR A  71
HIS A  18
LEU A 237
 None
 1.04A 3ce6D-5b69A:
undetectable		 3ce6D-5b69A:
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.
5cnx AMINOPEPTIDASE YPDF

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 LEU A 124
GLN A  14
HIS A  30
LEU A  21
 None
 1.19A 3ce6D-5cnxA:
undetectable		 3ce6D-5cnxA:
24.14
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.
5d8g TRYPTOPHANASE

(Escherichia
coli) 		PF01212
(Beta_elim_lyase) 		4 GLN A 140
THR A 138
HIS A 463
LEU A 400
 None
None
None
EPE  A1003 (-4.3A)
 1.17A 3ce6D-5d8gA:
undetectable		 3ce6D-5d8gA:
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.
5e37 EF-HAND
DOMAIN-CONTAINING
THIOREDOXIN

(Chlamydomonas
reinhardtii) 		PF00085
(Thioredoxin)
PF13499
(EF-hand_7) 		4 LEU A 264
GLN A 271
THR A 272
LEU A 220
 LEU  A 264 ( 0.5A)
GLN  A 271 ( 0.6A)
THR  A 272 ( 0.8A)
LEU  A 220 ( 0.6A)
 1.21A 3ce6D-5e37A:
undetectable		 3ce6D-5e37A:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ewo STRUCTURAL PROTEIN

(Mamastrovirus 1) 		PF12226
(Astro_capsid_p) 		4 LEU A 626
GLN A 479
THR A 591
LEU A 569
 None
 1.25A 3ce6D-5ewoA:
undetectable		 3ce6D-5ewoA:
17.17
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.
5f9p ANTHRONE
OXIDASE-LIKE PROTEIN

(Streptomyces
ambofaciens) 		PF03992
(ABM) 		4 LEU A 162
GLN A  63
THR A  12
HIS A 159
 None
None
None
GOL  A 301 (-3.5A)
 1.04A 3ce6D-5f9pA:
undetectable		 3ce6D-5f9pA:
20.88
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.
5fyg CYTOCHROME P450

(Marinobacter
hydrocarbonoclasticus) 		PF00067
(p450) 		4 LEU A  67
GLN A  84
HIS A  99
LEU A  92
 None
 1.14A 3ce6D-5fygA:
undetectable		 3ce6D-5fygA:
21.72
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.
5h80 CARBOXYLASE

(Deinococcus
radiodurans) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 444
GLN A 230
THR A 228
HIS A 436
LEU A 456
 None
 1.47A 3ce6D-5h80A:
5.2		 3ce6D-5h80A:
24.82
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.
5hes MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 GLN A  67
THR A  82
HIS A 131
LEU A 121
 None
032  A 401 (-3.7A)
None
None
 1.14A 3ce6D-5hesA:
undetectable		 3ce6D-5hesA:
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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		4 LEU A 409
GLN A  45
HIS A 324
LEU A 327
 None
 1.03A 3ce6D-5hh9A:
3.9		 3ce6D-5hh9A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iib VITELLINE ENVELOPE
SPERM LYSIN RECEPTOR

(Haliotis
rufescens) 		PF11386
(VERL) 		4 LEU B 359
GLN B 365
THR B 361
LEU B 439
 None
 1.06A 3ce6D-5iibB:
undetectable		 3ce6D-5iibB:
14.35
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.
5irm UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF05729
(NACHT)
PF13516
(LRR_6) 		4 LEU A 436
GLN A 454
HIS A 476
LEU A 480
 None
 1.16A 3ce6D-5irmA:
undetectable		 3ce6D-5irmA:
19.64
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 4 LEU A 533
GLN A 245
HIS A 469
LEU A 250
 None
 1.09A 3ce6D-5lewA:
undetectable		 3ce6D-5lewA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mx5 PROTEASOME ACTIVATOR
COMPLEX SUBUNIT 1

(Mus musculus) 		PF02251
(PA28_alpha)
PF02252
(PA28_beta) 		4 LEU A 167
GLN A 127
THR A 125
LEU A  40
 None
 1.18A 3ce6D-5mx5A:
undetectable		 3ce6D-5mx5A:
18.73
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.
5td8 NANOBODY

(Vicugna pacos) 		PF07686
(V-set) 		4 LEU E  21
GLN E 123
THR E 122
LEU E  87
 None
 1.22A 3ce6D-5td8E:
undetectable		 3ce6D-5td8E:
13.54
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.
5tf3 PUTATIVE MEMBRANE
PROTEIN

(Yersinia pestis) 		PF06711
(DUF1198) 		4 LEU A  46
GLN A  53
THR A  54
HIS A  80
 None
 1.14A 3ce6D-5tf3A:
undetectable		 3ce6D-5tf3A:
14.46
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.
5uyt ICE-BINDING PROTEIN

(Flavobacteriaceae
bacterium
3519-10) 		no annotation 4 LEU A 124
GLN A 155
THR A 154
LEU A 130
 None
 1.18A 3ce6D-5uytA:
undetectable		 3ce6D-5uytA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x32 N-ACYLGLUCOSAMINE
2-EPIMERASE

(Marinomonas
mediterranea) 		no annotation 4 LEU A 126
GLN A 191
THR A 190
LEU A  67
 None
 1.01A 3ce6D-5x32A:
undetectable		 3ce6D-5x32A:
11.81
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.
5x59 S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind) 		4 LEU A1134
GLN A 796
THR A 797
LEU A 894
 None
 1.21A 3ce6D-5x59A:
undetectable		 3ce6D-5x59A:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xjg VACUOLAR PROTEIN 8

(Saccharomyces
cerevisiae) 		PF00514
(Arm) 		4 LEU A 259
GLN A 270
THR A 229
HIS A 296
 None
None
None
PE5  A 601 (-4.1A)
 1.20A 3ce6D-5xjgA:
undetectable		 3ce6D-5xjgA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xjg VACUOLAR PROTEIN 8

(Saccharomyces
cerevisiae) 		PF00514
(Arm) 		4 LEU A 259
GLN A 270
THR A 229
LEU A 300
 None
 1.12A 3ce6D-5xjgA:
undetectable		 3ce6D-5xjgA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 4 LEU A  64
GLN A 103
HIS A  92
LEU A  48
 None
 1.10A 3ce6D-5xqoA:
undetectable		 3ce6D-5xqoA:
10.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zxd -

(-) 		no annotation 4 LEU A 137
GLN A  69
THR A  76
LEU A 184
 None
 1.19A 3ce6D-5zxdA:
undetectable		 3ce6D-5zxdA:
undetectable
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 LEU A  57
GLN A  62
THR A  63
HIS A 306
LEU A 349
 None
ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
NAD  A 500 ( 4.3A)
 0.19A 3ce6D-6aphA:
56.4		 3ce6D-6aphA:
54.40
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.
6apq ANTI-MARBURGVIRUS
NUCLEOPROTEIN SINGLE
DOMAIN ANTIBODY B

(Lama glama) 		no annotation 4 LEU A  20
GLN A 113
THR A 112
LEU A  85
 None
 1.15A 3ce6D-6apqA:
undetectable		 3ce6D-6apqA:
12.83
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.
6b4w DUAL SPECIFICITY
PROTEIN KINASE TTK

(Homo sapiens) 		no annotation 4 LEU A 764
THR A 728
HIS A 788
LEU A 785
 None
 0.94A 3ce6D-6b4wA:
undetectable		 3ce6D-6b4wA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 4 GLN B  65
THR B  66
HIS B 323
LEU B 373
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ZN  B 505 (-3.2A)
NAD  B 501 ( 3.9A)
 0.62A 3ce6D-6f3mB:
52.1		 3ce6D-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 LEU A  55
GLN A  60
THR A  61
HIS A 304
LEU A 347
 None
NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 ( 3.6A)
NAD  A 502 (-3.9A)
 0.63A 3ce6D-6gbnA:
55.6		 3ce6D-6gbnA:
undetectable