SIMILAR PATTERNS OF AMINO ACIDS FOR 3CE6_B_ADNB500

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.
1a0i DNA LIGASE

(Escherichia
virus T7) 		PF01068
(DNA_ligase_A_M) 		5 GLU A 194
LEU A 207
LEU A 219
GLY A 218
HIS A 216
 None
 1.31A 3ce6B-1a0iA:
undetectable		 3ce6B-1a0iA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a9x CARBAMOYL PHOSPHATE
SYNTHETASE (SMALL
CHAIN)

(Escherichia
coli) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain) 		5 HIS B1829
ASP B1799
GLU B1801
LEU B1866
HIS B1841
 None
 1.08A 3ce6B-1a9xB:
3.7		 3ce6B-1a9xB:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.25A 3ce6B-1auaA:
undetectable		 3ce6B-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.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 HIS A  78
ASP A  81
LEU A 135
GLY A  60
HIS A  46
 ZN  A 501 (-3.0A)
ZN  A 501 (-2.4A)
None
None
CU  A 502 (-3.2A)
 1.20A 3ce6B-1eqwA:
undetectable		 3ce6B-1eqwA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		5 HIS A  78
ASP A  81
LEU A 135
GLY A  60
HIS A  46
 ZN  A 149 ( 3.0A)
ZN  A 149 ( 2.4A)
None
None
CU  A 150 ( 3.3A)
 1.24A 3ce6B-1esoA:
undetectable		 3ce6B-1esoA:
16.56
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.
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
 1.23A 3ce6B-1rvkA:
undetectable		 3ce6B-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.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 244
GLU A 219
LYS A 160
LEU A  23
GLY A 195
 MG  A1601 ( 3.2A)
MG  A1601 (-2.9A)
GLU  A2471 (-2.6A)
None
None
 1.39A 3ce6B-1tkkA:
undetectable		 3ce6B-1tkkA:
24.50
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) 		6 ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 392
HIS A 398
 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 ( 3.5A)
 1.30A 3ce6B-1v8bA:
58.1		 3ce6B-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) 		12 HIS A  54
THR A  56
ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 389
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)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.67A 3ce6B-1v8bA:
58.1		 3ce6B-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.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		5 HIS A 103
ASP A 106
LEU A 154
GLY A  84
HIS A  62
 ZN  A 400 ( 3.2A)
ZN  A 400 (-2.2A)
None
None
CU  A 402 ( 3.4A)
 1.19A 3ce6B-2apsA:
undetectable		 3ce6B-2apsA:
16.56
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.
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 3ce6B-2cn3A:
undetectable		 3ce6B-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.
2huo INOSITOL OXYGENASE

(Mus musculus) 		PF05153
(MIOX) 		5 ASP A  88
LYS A 127
ASP A 124
LEU A 254
HIS A 123
 INS  A 303 (-3.7A)
INS  A 303 (-2.6A)
FE  A 302 ( 2.5A)
None
FE  A 301 ( 3.2A)
 1.45A 3ce6B-2huoA:
undetectable		 3ce6B-2huoA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3ce6B-2pqdA:
undetectable		 3ce6B-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.
2rad SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		5 THR A 409
GLU A 113
LEU A 316
GLY A 407
PHE A 141
 None
 1.47A 3ce6B-2radA:
undetectable		 3ce6B-2radA:
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.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		5 THR A 315
ASP A 332
GLU A 330
LEU A  64
HIS A 136
 None
 1.50A 3ce6B-2vunA:
2.2		 3ce6B-2vunA:
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.
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 3ce6B-2wabA:
5.8		 3ce6B-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
 1.43A 3ce6B-2weuA:
undetectable		 3ce6B-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 3ce6B-2xsrA:
undetectable		 3ce6B-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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 THR A 531
ASP A 445
LEU A 533
GLY A 509
PHE A 449
 None
 1.35A 3ce6B-3azqA:
3.6		 3ce6B-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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 THR A 271
ASP A 300
LEU A  60
GLY A 262
HIS A 265
 None
 1.09A 3ce6B-3b1rA:
4.6		 3ce6B-3b1rA:
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.
3e0f PUTATIVE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bifidobacterium
adolescentis) 		PF02811
(PHP) 		5 ASP A  15
ASP A 260
LEU A  32
GLY A 263
HIS A 262
 None
FE  A 303 ( 2.6A)
None
None
ZN  A 301 ( 3.5A)
 1.45A 3ce6B-3e0fA:
undetectable		 3ce6B-3e0fA:
21.86
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
LEU A 343
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 ( 4.0A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.70A 3ce6B-3g1uA:
54.0		 3ce6B-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) 		6 ASP A 139
GLU A 199
LYS A 229
ASP A 233
LEU A 385
HIS A 394
 RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
NAD  A 601 ( 3.6A)
 1.39A 3ce6B-3glqA:
59.2		 3ce6B-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
LYS A 229
ASP A 233
LEU A 385
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)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.50A 3ce6B-3glqA:
59.2		 3ce6B-3glqA:
57.09
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.
3goh ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Shewanella
oneidensis) 		PF08240
(ADH_N) 		5 ASP A  64
LEU A 128
LEU A 250
GLY A 251
HIS A 254
 None
None
GOL  A 316 (-4.7A)
GOL  A 316 (-2.9A)
None
 1.47A 3ce6B-3gohA:
5.2		 3ce6B-3gohA:
21.22
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 ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 346
 None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
 1.14A 3ce6B-3h9uA:
55.9		 3ce6B-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) 		12 HIS A  52
THR A  54
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 343
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 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.58A 3ce6B-3h9uA:
55.9		 3ce6B-3h9uA:
56.91
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 ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 1.14A 3ce6B-3n58A:
59.1		 3ce6B-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 ASP A 132
LYS A 222
ASP A 226
LEU A 378
HIS A 387
 ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.34A 3ce6B-3n58A:
59.1		 3ce6B-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
LYS A 222
ASP A 226
LEU A 378
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)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.52A 3ce6B-3n58A:
59.1		 3ce6B-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.
3ngx BIFUNCTIONAL PROTEIN
FOLD

(Thermoplasma
acidophilum) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 GLU A  91
ASP A 114
LEU A 262
LEU A  30
GLY A  87
 None
 1.40A 3ce6B-3ngxA:
7.9		 3ce6B-3ngxA:
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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		5 THR A 446
ASP A 387
GLU A 392
LEU A 416
LEU A 475
 None
 1.38A 3ce6B-3o98A:
undetectable		 3ce6B-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) 		6 ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
HIS A 404
 None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.36A 3ce6B-3oneA:
58.6		 3ce6B-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) 		12 HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
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 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
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)
 0.58A 3ce6B-3oneA:
58.6		 3ce6B-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
ASP A 239
HIS A 404
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 (-3.4A)
 1.24A 3ce6B-3oneA:
58.6		 3ce6B-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 THR A  67
ASP A 139
ASP A 239
LEU A 398
HIS A 404
 ADE  A 506 (-4.5A)
None
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.38A 3ce6B-3oneA:
58.6		 3ce6B-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.
3p54 ENVELOPE
GLYCOPROTEIN

(Japanese
encephalitis
virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		5 ASP A  42
LEU A 371
GLY A 145
HIS A 144
PHE A   1
 None
 1.32A 3ce6B-3p54A:
undetectable		 3ce6B-3p54A:
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.
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 3ce6B-3rreA:
5.7		 3ce6B-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.
4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 THR A 433
ASP A 367
LYS A 354
ASP A 427
LEU A 455
 None
MG  A 602 (-2.4A)
MG  A 601 ( 3.8A)
MG  A 601 ( 3.0A)
SO4  A 603 (-3.7A)
 1.30A 3ce6B-4ksiA:
undetectable		 3ce6B-4ksiA:
23.91
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 ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 386
 ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
 1.09A 3ce6B-4lvcA:
59.7		 3ce6B-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) 		12 HIS A  58
THR A  60
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 383
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)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
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)
 0.62A 3ce6B-4lvcA:
59.7		 3ce6B-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
ASP A 231
HIS A 392
 ADN  A 501 (-4.0A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.1A)
ADN  A 501 (-3.5A)
 1.27A 3ce6B-4lvcA:
59.7		 3ce6B-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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A 495
ASP A 914
LEU A 895
LEU A 493
GLY A 899
 None
 1.32A 3ce6B-4mz0A:
undetectable		 3ce6B-4mz0A:
19.60
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.
5hhl RETRON-TYPE REVERSE
TRANSCRIPTASE

([Eubacterium]
rectale) 		PF00078
(RVT_1) 		5 ASP A 227
GLU A 186
LEU A 270
GLY A 276
HIS A 291
 K  A 301 (-3.7A)
None
None
None
None
 1.17A 3ce6B-5hhlA:
undetectable		 3ce6B-5hhlA:
22.07
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.
5jiu RAN-BINDING PROTEIN
9

(Homo sapiens) 		PF00622
(SPRY) 		5 HIS A 255
ASP A 258
LEU A 244
GLY A 317
PHE A 275
 None
 1.44A 3ce6B-5jiuA:
undetectable		 3ce6B-5jiuA:
21.38
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 ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 404
 SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 4.7A)
 1.12A 3ce6B-5utuA:
53.7		 3ce6B-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) 		12 HIS A  53
THR A  55
ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 401
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)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
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)
 0.66A 3ce6B-5utuA:
53.7		 3ce6B-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
ASP A 245
HIS A 410
 SAH  A 502 (-4.0A)
SAH  A 502 (-4.2A)
SAH  A 502 (-3.4A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 3.5A)
 1.26A 3ce6B-5utuA:
53.7		 3ce6B-5utuA:
49.14
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.
5uz5 PRE-MRNA-PROCESSING
FACTOR 39
U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN
COMPONENT PRP42

(Saccharomyces
cerevisiae) 		no annotation 5 THR D 396
LEU D 444
LEU D 415
GLY D 414
HIS E 519
 None
 1.33A 3ce6B-5uz5D:
undetectable		 3ce6B-5uz5D:
19.23
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 ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 389
 ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.7A)
 1.14A 3ce6B-5v96A:
58.8		 3ce6B-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) 		12 HIS A  59
THR A  61
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 386
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)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
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)
 0.63A 3ce6B-5v96A:
58.8		 3ce6B-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 HIS A  59
THR A  64
ASP A 136
ASP A 231
HIS A 395
 ADN  A 502 ( 3.9A)
ADN  A 502 (-4.4A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 3.4A)
 1.20A 3ce6B-5v96A:
58.8		 3ce6B-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) 		7 HIS A  55
THR A  57
ASP A 131
GLU A 156
LYS A 186
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
9W4  A 502 (-3.6A)
None
 0.81A 3ce6B-5w4bA:
40.7		 3ce6B-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 HIS A  55
THR A  57
ASP A 131
LYS A 186
ASP A 190
MET A 358
PHE A 362
 9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.74A 3ce6B-5w4bA:
40.7		 3ce6B-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 3ce6B-5w4bA:
40.7		 3ce6B-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 LYS A 186
ASP A 190
LEU A 344
LEU A 347
GLY A 352
HIS A 353
MET A 358
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 1.08A 3ce6B-5w4bA:
40.7		 3ce6B-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
 0.98A 3ce6B-5w4bA:
40.7		 3ce6B-5w4bA:
55.33
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
LYS A 191
ASP A 195
LEU A 349
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)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.19A 3ce6B-6aphA:
56.3		 3ce6B-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
ASP A 195
HIS A 358
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 3.5A)
 1.20A 3ce6B-6aphA:
56.3		 3ce6B-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 THR A  63
ASP A 136
ASP A 195
LEU A 352
HIS A 358
 ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.8A)
ADN  A 501 ( 3.5A)
 1.37A 3ce6B-6aphA:
56.3		 3ce6B-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.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 5 THR A 246
ASP A 229
LEU A   4
LEU A 151
PHE A 189
 None
 1.46A 3ce6B-6b5fA:
2.6		 3ce6B-6b5fA:
23.71
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.
6f3m -

(-) 		no annotation 6 ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 376
HIS B 382
 ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 4.8A)
ADN  B 502 (-3.4A)
 1.40A 3ce6B-6f3mB:
52.2		 3ce6B-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 12 HIS B  61
THR B  63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
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)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
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)
 0.62A 3ce6B-6f3mB:
52.2		 3ce6B-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
ASP B 198
HIS B 382
 ADN  B 502 ( 4.0A)
ADN  B 502 (-4.6A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-2.7A)
ADN  B 502 (-3.4A)
 1.20A 3ce6B-6f3mB:
52.2		 3ce6B-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 THR B  66
ASP B 139
ASP B 198
LEU B 376
HIS B 382
 ADN  B 502 (-4.6A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-2.7A)
ADN  B 502 ( 4.8A)
ADN  B 502 (-3.4A)
 1.40A 3ce6B-6f3mB:
52.2		 3ce6B-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 6 ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
HIS A 356
 ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.4A)
 1.37A 3ce6B-6gbnA:
55.6		 3ce6B-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 HIS A  56
THR A  58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
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)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.64A 3ce6B-6gbnA:
55.6		 3ce6B-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.
1bwm PROTEIN (ALPHA-BETA
T CELL RECEPTOR
(TCR) (D10))

(Mus musculus) 		PF07686
(V-set) 		4 LEU A 114
GLN A  86
THR A  87
THR A  20
 None
 1.19A 3ce6B-1bwmA:
undetectable		 3ce6B-1bwmA:
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.
1d0n HORSE PLASMA
GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		4 LEU A  71
GLN A  82
THR A  73
THR A 105
 None
 1.07A 3ce6B-1d0nA:
undetectable		 3ce6B-1d0nA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 GLN A 212
THR A 209
THR A 140
HIS A  77
 None
None
None
ZN  A 500 (-3.4A)
 1.14A 3ce6B-1ddkA:
2.9		 3ce6B-1ddkA:
20.29
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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		4 LEU A 668
GLN A 643
THR A 640
THR A 683
 None
None
None
B12  A 800 ( 4.9A)
 1.28A 3ce6B-1e1cA:
4.9		 3ce6B-1e1cA:
22.33
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 LEU A 549
GLN A 590
THR A 553
HIS A 545
 None
None
None
FE2  A 840 (-3.3A)
 1.34A 3ce6B-1loxA:
undetectable		 3ce6B-1loxA:
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.
1nui DNA PRIMASE/HELICASE

(Escherichia
virus T7) 		PF08273
(Prim_Zn_Ribbon)
PF13155
(Toprim_2) 		4 LEU A  81
GLN A  92
THR A 164
HIS A 242
 None
 1.33A 3ce6B-1nuiA:
undetectable		 3ce6B-1nuiA:
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.
1qz9 KYNURENINASE

(Pseudomonas
fluorescens) 		PF00266
(Aminotran_5) 		4 LEU A 306
GLN A 300
THR A 301
THR A 379
 None
 1.26A 3ce6B-1qz9A:
undetectable		 3ce6B-1qz9A:
23.77
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		4 LEU A 577
GLN A 618
THR A 619
THR A 572
 None
 1.29A 3ce6B-1r6vA:
3.0		 3ce6B-1r6vA:
22.96
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.
1rgi GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		4 LEU G  71
GLN G  82
THR G  73
THR G 105
 None
 1.07A 3ce6B-1rgiG:
undetectable		 3ce6B-1rgiG:
22.67
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.
1t44 CHIMERA OF GELSOLIN
DOMAIN 1 AND
C-TERMINAL DOMAIN OF
THYMOSIN BETA-4

(Homo sapiens;
Mus musculus) 		PF00626
(Gelsolin)
PF01290
(Thymosin) 		4 LEU G  71
GLN G  82
THR G  73
THR G 105
 None
 1.03A 3ce6B-1t44G:
undetectable		 3ce6B-1t44G:
13.52
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.
1ub0 PHOSPHOMETHYLPYRIMID
INE KINASE

(Thermus
thermophilus) 		PF08543
(Phos_pyr_kin) 		4 LEU A 241
THR A 202
THR A 211
HIS A 256
 None
 1.37A 3ce6B-1ub0A:
2.4		 3ce6B-1ub0A:
21.49
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.
1ut9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 LEU A 476
THR A 788
THR A 474
HIS A 387
 None
 1.16A 3ce6B-1ut9A:
undetectable		 3ce6B-1ut9A:
20.35
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.
2a22 VACUOLAR PROTEIN
SORTING 29

(Cryptosporidium
parvum) 		PF12850
(Metallophos_2) 		4 LEU A  15
THR A 151
THR A  43
HIS A 101
 None
 1.36A 3ce6B-2a22A:
undetectable		 3ce6B-2a22A:
19.24
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
THR A  27
 None
 1.20A 3ce6B-2c4kA:
2.3		 3ce6B-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.
2dht 409AA LONG
HYPOTHETICAL
NADP-DEPENDENT
ISOCITRATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		4 LEU A 291
GLN A 200
THR A 203
HIS A 222
 None
 1.34A 3ce6B-2dhtA:
2.9		 3ce6B-2dhtA:
24.57
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.
2ff6 GELSOLIN

(Homo sapiens) 		PF00626
(Gelsolin) 		4 LEU G  71
GLN G  82
THR G  73
THR G 105
 None
 1.02A 3ce6B-2ff6G:
undetectable		 3ce6B-2ff6G:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fyi HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CBL

(Escherichia
coli) 		PF03466
(LysR_substrate) 		4 LEU A 184
THR A 261
THR A 179
HIS A 176
 None
 1.37A 3ce6B-2fyiA:
undetectable		 3ce6B-2fyiA:
19.47
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		4 LEU A 925
GLN A 830
THR A 909
THR A 835
 None
 1.36A 3ce6B-2gahA:
undetectable		 3ce6B-2gahA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kbb TALIN-1

(Mus musculus) 		no annotation 4 LEU A1741
GLN A1764
THR A1765
THR A1704
 None
 1.04A 3ce6B-2kbbA:
undetectable		 3ce6B-2kbbA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.09A 3ce6B-2nvvA:
undetectable		 3ce6B-2nvvA:
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.
2o26 MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Mus musculus) 		no annotation 4 GLN X 275
THR X 277
THR X 306
HIS X 222
 None
 1.28A 3ce6B-2o26X:
undetectable		 3ce6B-2o26X:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 LEU A  18
GLN A  25
THR A  21
THR A 115
 None
 1.23A 3ce6B-2okcA:
4.1		 3ce6B-2okcA:
23.54
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.
2r1f PREDICTED
AMINODEOXYCHORISMATE
LYASE

(Escherichia
coli) 		PF02618
(YceG) 		4 LEU A 137
GLN A 147
THR A 144
THR A 173
 None
 1.10A 3ce6B-2r1fA:
undetectable		 3ce6B-2r1fA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wlv GAG POLYPROTEIN

(Human
immunodeficiency
virus 2) 		PF00607
(Gag_p24) 		4 LEU B  14
THR B  18
THR B  47
HIS B  11
 None
 1.14A 3ce6B-2wlvB:
undetectable		 3ce6B-2wlvB:
13.25
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.
2y7c TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN

(Escherichia
coli) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 LEU B 163
GLN B 166
THR B 358
HIS B 335
 None
 1.29A 3ce6B-2y7cB:
3.1		 3ce6B-2y7cB:
23.71
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.
2yet GH61 ISOZYME A

(Thermoascus
aurantiacus) 		PF03443
(Glyco_hydro_61) 		4 LEU A  41
GLN A   5
THR A  36
HIS A  57
 HIC  A   1 ( 4.9A)
None
None
None
 1.32A 3ce6B-2yetA:
undetectable		 3ce6B-2yetA:
18.80
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.
2ypf AVRBS3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		4 LEU A 579
GLN A 549
THR A 547
HIS A 559
 None
 1.25A 3ce6B-2ypfA:
undetectable		 3ce6B-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
 1.26A 3ce6B-2ypfA:
undetectable		 3ce6B-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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 LEU A 786
GLN A1012
THR A 877
HIS A 984
 None
 1.33A 3ce6B-3bgaA:
undetectable		 3ce6B-3bgaA:
18.89
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.
3bq3 DEFECTIVE IN CULLIN
NEDDYLATION PROTEIN
1

(Saccharomyces
cerevisiae) 		PF03556
(Cullin_binding)
PF14555
(UBA_4) 		4 LEU A 116
GLN A 137
THR A 133
THR A 109
 None
 1.22A 3ce6B-3bq3A:
undetectable		 3ce6B-3bq3A:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		4 LEU A  32
THR A  30
THR A  35
HIS A  38
 None
 1.37A 3ce6B-3cjpA:
undetectable		 3ce6B-3cjpA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ed0 (3R)-HYDROXYMYRISTOY
L-ACYL CARRIER
PROTEIN DEHYDRATASE

(Helicobacter
pylori) 		PF07977
(FabA) 		4 LEU A 119
GLN A  76
THR A 138
HIS A 122
 None
 1.35A 3ce6B-3ed0A:
undetectable		 3ce6B-3ed0A:
15.18
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 LEU A 946
GLN A1036
THR A1035
THR A 922
 None
None
None
CL  A1223 (-4.3A)
 1.34A 3ce6B-3fawA:
undetectable		 3ce6B-3fawA:
21.40
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 LEU A  51
GLN A  56
THR A  57
THR A 156
HIS A 300
 None
ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.0A)
 0.19A 3ce6B-3g1uA:
54.0		 3ce6B-3g1uA:
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.
3gem SHORT CHAIN
DEHYDROGENASE

(Pseudomonas
savastanoi) 		PF13561
(adh_short_C2) 		4 LEU A  78
GLN A  74
THR A  75
HIS A  83
 None
 1.35A 3ce6B-3gemA:
8.2		 3ce6B-3gemA:
17.54
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
THR A 200
HIS A 344
 None
RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
NAD  A 601 ( 2.9A)
RAB  A 602 ( 3.5A)
 0.15A 3ce6B-3glqA:
59.2		 3ce6B-3glqA:
57.09
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.
3gwj ARYLPHORIN

(Antheraea
pernyi) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 LEU A 290
GLN A 404
THR A 405
THR A 161
 None
 1.07A 3ce6B-3gwjA:
undetectable		 3ce6B-3gwjA:
21.53
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
THR A 156
HIS A 300
 None
ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
NAD  A 438 (-3.8A)
None
 0.35A 3ce6B-3h9uA:
55.9		 3ce6B-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.
3im7 CARDIAC CA2+ RELEASE
CHANNEL

(Mus musculus) 		PF08709
(Ins145_P3_rec) 		4 GLN A  33
THR A  27
THR A 210
HIS A 193
 None
 1.32A 3ce6B-3im7A:
undetectable		 3ce6B-3im7A:
19.39
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.
3lfu DNA HELICASE II

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 LEU A 512
GLN A 480
THR A 481
HIS A 537
 None
 1.33A 3ce6B-3lfuA:
undetectable		 3ce6B-3lfuA:
21.86
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.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 LEU A 274
GLN A 193
THR A 208
HIS A 271
 None
 1.34A 3ce6B-3ll8A:
undetectable		 3ce6B-3ll8A:
21.57
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.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		4 LEU A 264
GLN A 293
THR A 232
HIS A 258
 None
 1.32A 3ce6B-3lm6A:
undetectable		 3ce6B-3lm6A:
22.11
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
THR A 193
HIS A 337
 None
K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
 0.24A 3ce6B-3n58A:
59.1		 3ce6B-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.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		4 LEU A 575
GLN A 649
THR A 643
THR A 580
 None
 1.05A 3ce6B-3nowA:
undetectable		 3ce6B-3nowA:
20.27
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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		4 LEU A  89
GLN A 493
THR A 582
HIS A 369
 None
 1.35A 3ce6B-3nzqA:
undetectable		 3ce6B-3nzqA:
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.
3o6b DEFECTIVE IN CULLIN
NEDDYLATION PROTEIN
1

(Saccharomyces
cerevisiae) 		PF03556
(Cullin_binding) 		4 LEU A 116
GLN A 137
THR A 133
THR A 109
 None
 1.30A 3ce6B-3o6bA:
undetectable		 3ce6B-3o6bA:
16.22
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
THR A 206
HIS A 350
 None
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
 0.67A 3ce6B-3oneA:
58.6		 3ce6B-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.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		4 LEU A 321
GLN A 291
THR A 294
HIS A  -2
 None
 1.36A 3ce6B-3pkoA:
undetectable		 3ce6B-3pkoA:
21.65
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.
3qr5 CARDIAC CA2+ RELEASE
CHANNEL

(Mus musculus) 		PF08709
(Ins145_P3_rec) 		4 GLN A  33
THR A  27
THR A 210
HIS A 193
 None
 1.09A 3ce6B-3qr5A:
undetectable		 3ce6B-3qr5A:
18.81
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.
3tu5 GELSOLIN,PROTEIN
CORDON-BLEU,THYMOSIN
BETA-4

(Homo sapiens;
Mus musculus) 		PF00626
(Gelsolin) 		4 LEU B  47
GLN B  58
THR B  49
THR B  81
 None
 1.02A 3ce6B-3tu5B:
undetectable		 3ce6B-3tu5B:
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.
3ugm TAL EFFECTOR
AVRBS3/PTHA

(Xanthomonas
oryzae) 		PF03377
(TAL_effector) 		4 LEU A 477
GLN A 447
THR A 445
HIS A 457
 None
 1.01A 3ce6B-3ugmA:
undetectable		 3ce6B-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 714
GLN A 684
THR A 682
HIS A 694
 None
 1.11A 3ce6B-3ugmA:
undetectable		 3ce6B-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
 1.15A 3ce6B-3ugmA:
undetectable		 3ce6B-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.
3vbe BETA-CYANOALNINE
SYNTHASE

(Glycine max) 		PF00291
(PALP) 		4 GLN A 331
THR A  74
THR A 342
HIS A 344
 None
 1.36A 3ce6B-3vbeA:
3.5		 3ce6B-3vbeA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vmn DEXTRANASE

(Streptococcus
mutans) 		PF13199
(Glyco_hydro_66) 		4 LEU A 638
GLN A 602
THR A 603
THR A 635
 None
 1.01A 3ce6B-3vmnA:
undetectable		 3ce6B-3vmnA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 LEU A 238
GLN A 286
THR A 284
HIS A 245
 None
 1.21A 3ce6B-3wjoA:
undetectable		 3ce6B-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.
4a11 DNA EXCISION REPAIR
PROTEIN ERCC-8

(Homo sapiens) 		PF00400
(WD40) 		4 LEU B 330
GLN B 326
THR B 328
HIS B 333
 None
 1.29A 3ce6B-4a11B:
undetectable		 3ce6B-4a11B:
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.
4bkm PYRIDOXAL PHOSPHATE
PHOSPHATASE,
PHOSPHOGLYCOLATE
PHOSPHATASE,
PYRIDOXAL PHOSPHATE
PHOSPHATASE

(Mus musculus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 LEU A 249
GLN A 277
THR A 263
HIS A 257
 None
 1.32A 3ce6B-4bkmA:
2.1		 3ce6B-4bkmA:
21.51
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		4 GLN A 156
THR A   6
THR A 348
HIS A 389
 None
 1.17A 3ce6B-4cnkA:
undetectable		 3ce6B-4cnkA:
23.95
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.
4czw PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		4 LEU A 531
THR A 986
THR A 528
HIS A 525
 None
None
None
ZN  A3094 (-3.1A)
 1.22A 3ce6B-4czwA:
undetectable		 3ce6B-4czwA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 LEU B1781
GLN B1766
THR B1765
THR B1756
 None
 1.12A 3ce6B-4f92B:
undetectable		 3ce6B-4f92B:
15.22
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.
4gmf YERSINIABACTIN
BIOSYNTHETIC PROTEIN
YBTU

(Yersinia
enterocolitica) 		PF01408
(GFO_IDH_MocA) 		4 LEU A 168
GLN A 331
THR A 179
HIS A 322
 None
 1.02A 3ce6B-4gmfA:
7.7		 3ce6B-4gmfA:
22.44
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.
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
 1.19A 3ce6B-4h63Q:
undetectable		 3ce6B-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.
4l1m E3 UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		4 LEU A 600
GLN A 625
THR A 621
THR A 647
 None
None
None
SO4  A 802 (-3.5A)
 1.06A 3ce6B-4l1mA:
undetectable		 3ce6B-4l1mA:
23.02
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
THR A 198
HIS A 342
 None
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.18A 3ce6B-4lvcA:
59.7		 3ce6B-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.
4maa PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		4 LEU A 292
GLN A 297
THR A 296
THR A 286
 None
 1.34A 3ce6B-4maaA:
5.8		 3ce6B-4maaA:
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.
4mca GLYCEROL
DEHYDROGENASE

(Serratia
plymuthica) 		PF00465
(Fe-ADH) 		4 LEU A 173
GLN A 282
THR A 279
THR A 295
 None
 1.28A 3ce6B-4mcaA:
2.2		 3ce6B-4mcaA:
23.20
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.
4n5q TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 3

(Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2) 		4 LEU A 281
GLN A 286
THR A 287
THR A 231
 None
 1.31A 3ce6B-4n5qA:
undetectable		 3ce6B-4n5qA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		4 GLN A 111
THR A 110
THR A  81
HIS A 120
 None
None
MRD  A 301 ( 4.2A)
MRD  A 301 ( 4.8A)
 1.25A 3ce6B-4nq1A:
undetectable		 3ce6B-4nq1A:
21.81
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.
4pkh GELSOLIN,TROPOMODULI
N-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin)
PF03250
(Tropomodulin) 		4 LEU B  98
GLN B 109
THR B 100
THR B 132
 None
 1.05A 3ce6B-4pkhB:
undetectable		 3ce6B-4pkhB:
16.23
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.
4pki GELSOLIN,TROPOMODULI
N-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin) 		4 LEU G  98
GLN G 109
THR G 100
THR G 132
 None
 1.05A 3ce6B-4pkiG:
undetectable		 3ce6B-4pkiG:
21.40
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		4 LEU A 214
GLN A 153
THR A 218
HIS A 271
 None
 1.37A 3ce6B-4qlbA:
4.3		 3ce6B-4qlbA:
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 GLN A2380
THR A2383
THR A2418
HIS A2097
 None
MG  A4404 ( 4.6A)
None
None
 1.35A 3ce6B-4rh7A:
undetectable		 3ce6B-4rh7A:
9.67
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 4 GLN A 213
THR A 210
THR A 141
HIS A  78
 None
None
None
ZN  A 301 (-3.4A)
 1.21A 3ce6B-4ubqA:
3.1		 3ce6B-4ubqA:
18.47
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.
4xz8 NUCLEOPROTEIN

(Thiafora
orthonairovirus) 		PF02477
(Nairo_nucleo) 		4 LEU A 452
GLN A 159
THR A 472
THR A 413
 None
 1.16A 3ce6B-4xz8A:
undetectable		 3ce6B-4xz8A:
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.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		4 LEU H 209
GLN H  30
THR H  45
THR H 201
 None
 1.31A 3ce6B-4ylqH:
undetectable		 3ce6B-4ylqH:
20.00
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.
4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin) 		4 LEU G  47
GLN G  58
THR G  49
THR G  81
 None
 1.02A 3ce6B-4z94G:
undetectable		 3ce6B-4z94G:
21.69
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.
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 3ce6B-4zjgA:
undetectable		 3ce6B-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.
5a1m ADSEVERIN

(Homo sapiens) 		PF00626
(Gelsolin) 		4 LEU A 317
GLN A 292
THR A 326
THR A 312
 None
 1.36A 3ce6B-5a1mA:
undetectable		 3ce6B-5a1mA:
14.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c6u AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF12897
(Aminotran_MocR) 		4 LEU A   6
GLN A   9
THR A 419
HIS A  18
 None
 1.36A 3ce6B-5c6uA:
2.7		 3ce6B-5c6uA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 LEU A 554
GLN A 547
THR A 486
HIS A 162
 None
 1.28A 3ce6B-5chcA:
undetectable		 3ce6B-5chcA:
20.22
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.
5ewn STRUCTURAL PROTEIN

(Mamastrovirus 1) 		PF03115
(Astro_capsid_N) 		4 LEU A 112
GLN A 406
THR A 405
THR A 218
 None
 1.36A 3ce6B-5ewnA:
undetectable		 3ce6B-5ewnA:
21.89
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.
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 3ce6B-5f9pA:
undetectable		 3ce6B-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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		4 LEU A 499
THR A 316
THR A 496
HIS A 449
 None
 1.22A 3ce6B-5gl7A:
3.0		 3ce6B-5gl7A:
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.
5hxy TYROSINE RECOMBINASE
XERA

(Thermoplasma
acidophilum) 		PF00589
(Phage_integrase)
PF13495
(Phage_int_SAM_4) 		4 LEU A 240
GLN A 262
THR A 265
HIS A 279
 None
 1.29A 3ce6B-5hxyA:
undetectable		 3ce6B-5hxyA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ibv CAPSID POLYPROTEIN
VP90

(Mamastrovirus 1) 		PF03115
(Astro_capsid_N) 		4 LEU A 112
GLN A 406
THR A 405
THR A 218
 None
 1.28A 3ce6B-5ibvA:
undetectable		 3ce6B-5ibvA:
21.24
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.
5ixp EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Kribbella
flavida) 		PF13416
(SBP_bac_8) 		4 LEU A 318
GLN A 342
THR A 338
THR A  51
 None
 1.15A 3ce6B-5ixpA:
undetectable		 3ce6B-5ixpA:
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 LEU A 608
GLN A 317
THR A 552
HIS A 590
 None
 1.32A 3ce6B-5k6oA:
undetectable		 3ce6B-5k6oA:
20.57
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.
5ool 39S RIBOSOMAL
PROTEIN L38,
MITOCHONDRIAL

(Homo sapiens) 		PF01161
(PBP) 		4 LEU 6 236
GLN 6 275
THR 6 238
THR 6 300
 None
 1.36A 3ce6B-5ool6:
undetectable		 3ce6B-5ool6:
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.
5osh VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 29

(Homo sapiens) 		no annotation 4 LEU A   9
THR A 136
THR A  37
HIS A  86
 None
 1.22A 3ce6B-5oshA:
undetectable		 3ce6B-5oshA:
9.24
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.
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 3ce6B-5xjgA:
undetectable		 3ce6B-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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		4 LEU A 173
GLN A 282
THR A 279
THR A 295
 None
 1.34A 3ce6B-5xn8A:
2.1		 3ce6B-5xn8A:
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.
5zvt CORE PROTEIN VP6

(Aquareovirus C) 		no annotation 4 LEU U 296
GLN U 288
THR U 291
THR U 316
 None
 1.33A 3ce6B-5zvtU:
undetectable		 3ce6B-5zvtU:
10.04
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
THR A 162
HIS A 306
 None
ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.23A 3ce6B-6aphA:
56.3		 3ce6B-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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 4 GLN A 466
THR A 378
THR A 203
HIS A 373
 None
None
None
ZN  A 902 (-3.3A)
 1.08A 3ce6B-6c01A:
undetectable		 3ce6B-6c01A:
8.67
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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 4 LEU A 318
GLN A 316
THR A 451
HIS A 460
 LYS  A 606 ( 4.1A)
NA  A 607 ( 4.9A)
None
None
 1.09A 3ce6B-6eomA:
undetectable		 3ce6B-6eomA:
11.13
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.
6f2t -

(-) 		no annotation 4 GLN A 466
THR A 379
THR A 204
HIS A 374
 None
None
None
ZN  A1002 (-3.1A)
 1.11A 3ce6B-6f2tA:
undetectable		 3ce6B-6f2tA:
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 4 GLN B  65
THR B  66
THR B 165
HIS B 323
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
NAD  B 501 ( 2.8A)
ZN  B 505 (-3.2A)
 0.11A 3ce6B-6f3mB:
52.2		 3ce6B-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
THR A 160
HIS A 304
 None
NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
NAD  A 502 ( 2.8A)
ADN  A 501 ( 3.6A)
 0.22A 3ce6B-6gbnA:
55.6		 3ce6B-6gbnA:
undetectable