SIMILAR PATTERNS OF AMINO ACIDS FOR 6CNJ_D_NCTD402

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.
1c4o DNA NUCLEOTIDE
EXCISION REPAIR
ENZYME UVRB

(Thermus
thermophilus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF12344
(UvrB) 		4 TYR A 547
THR A 446
CYH A 493
TRP A 545
 None
 1.48A 6cnjD-1c4oA:
undetectable
6cnjE-1c4oA:
0.0		 6cnjD-1c4oA:
8.89
6cnjE-1c4oA:
7.38
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.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		4 TYR A 398
THR A 330
TYR A 269
TRP A 378
 None
 1.47A 6cnjD-1cg4A:
0.0
6cnjE-1cg4A:
undetectable		 6cnjD-1cg4A:
13.14
6cnjE-1cg4A:
10.77
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.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		4 TYR A 416
THR A 348
TYR A 287
TRP A 396
 None
GDP  A 500 ( 4.9A)
None
None
 1.38A 6cnjD-1dj2A:
undetectable
6cnjE-1dj2A:
undetectable		 6cnjD-1dj2A:
11.42
6cnjE-1dj2A:
10.61
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.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 TYR A 267
TRP A 133
THR A 130
LEU A  48
 None
 1.48A 6cnjD-1h39A:
undetectable
6cnjE-1h39A:
2.9		 6cnjD-1h39A:
10.30
6cnjE-1h39A:
7.83
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.
1i9z PHOSPHATIDYLINOSITOL
PHOSPHATE
PHOSPHATASE

(Schizosaccharomyces
pombe) 		PF03372
(Exo_endo_phos) 		4 TRP A 814
THR A 793
TYR A 803
LEU A 761
 None
 1.28A 6cnjD-1i9zA:
0.0
6cnjE-1i9zA:
0.0		 6cnjD-1i9zA:
14.58
6cnjE-1i9zA:
12.94
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.
1mf1 ADENYLOSUCCINATE
SYNTHETASE

(Mus musculus) 		PF00709
(Adenylsucc_synt) 		4 TYR A 429
THR A 362
TYR A 301
TRP A 409
 None
 1.28A 6cnjD-1mf1A:
undetectable
6cnjE-1mf1A:
undetectable		 6cnjD-1mf1A:
11.82
6cnjE-1mf1A:
11.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ons CHAPERONE PROTEIN
HCHA

(Escherichia
coli) 		no annotation 4 TRP A 228
THR A 227
TYR A 229
LEU A 157
 None
 0.83A 6cnjD-1onsA:
undetectable
6cnjE-1onsA:
undetectable		 6cnjD-1onsA:
15.64
6cnjE-1onsA:
15.50
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.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		4 TYR A 409
THR A 338
TYR A 277
TRP A 389
 None
GDP  A1603 ( 4.9A)
None
None
 1.43A 6cnjD-1p9bA:
0.0
6cnjE-1p9bA:
undetectable		 6cnjD-1p9bA:
12.50
6cnjE-1p9bA:
10.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tdq TENASCIN-R

(Rattus
norvegicus) 		PF00041
(fn3) 		4 THR A  49
TYR A  38
TRP A  24
LEU A  52
 None
 1.31A 6cnjD-1tdqA:
1.5
6cnjE-1tdqA:
2.5		 6cnjD-1tdqA:
15.23
6cnjE-1tdqA:
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.
1ten TENASCIN

(Homo sapiens) 		PF00041
(fn3) 		4 THR A 848
TYR A 837
TRP A 823
LEU A 851
 None
 1.27A 6cnjD-1tenA:
undetectable
6cnjE-1tenA:
undetectable		 6cnjD-1tenA:
22.11
6cnjE-1tenA:
21.84
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.
1umr CONVULXIN ALPHA
CONVULXIN BETA

(Crotalus
durissus) 		PF00059
(Lectin_C) 		4 TRP C 281
THR C 285
TRP A 116
LEU A  72
 None
 1.37A 6cnjD-1umrC:
undetectable
6cnjE-1umrC:
undetectable		 6cnjD-1umrC:
23.26
6cnjE-1umrC:
19.35
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.
1vpr LUCIFERASE

(Lingulodinium
polyedra) 		PF10284
(Luciferase_3H)
PF10285
(Luciferase_cat) 		4 THR A1188
CYH A 991
TYR A 996
LEU A1008
 None
 1.45A 6cnjD-1vprA:
undetectable
6cnjE-1vprA:
undetectable		 6cnjD-1vprA:
12.04
6cnjE-1vprA:
11.35
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.
1vpr LUCIFERASE

(Lingulodinium
polyedra) 		PF10284
(Luciferase_3H)
PF10285
(Luciferase_cat) 		4 TRP A1010
THR A1198
CYH A1137
LEU A1014
 None
 1.47A 6cnjD-1vprA:
undetectable
6cnjE-1vprA:
undetectable		 6cnjD-1vprA:
12.04
6cnjE-1vprA:
11.35
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.
1vpr LUCIFERASE

(Lingulodinium
polyedra) 		PF10284
(Luciferase_3H)
PF10285
(Luciferase_cat) 		4 TYR A1102
TRP A1010
THR A1198
LEU A1014
 None
 1.48A 6cnjD-1vprA:
undetectable
6cnjE-1vprA:
undetectable		 6cnjD-1vprA:
12.04
6cnjE-1vprA:
11.35
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.
2ass S-PHASE
KINASE-ASSOCIATED
PROTEIN 2

(Homo sapiens) 		PF12937
(F-box-like) 		4 THR B2270
CYH B2266
TYR B2293
LEU B2248
 None
 1.40A 6cnjD-2assB:
undetectable
6cnjE-2assB:
undetectable		 6cnjD-2assB:
11.31
6cnjE-2assB:
13.21
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.
2bj0 ACETYLCHOLINE-BINDIN
G PROTEIN

(Bulinus
truncatus) 		PF02931
(Neur_chan_LBD) 		4 TYR A  88
TRP A 142
THR A 143
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 ( 4.7A)
CXS  A1204 (-4.7A)
 0.76A 6cnjD-2bj0A:
21.6
6cnjE-2bj0A:
10.7		 6cnjD-2bj0A:
17.44
6cnjE-2bj0A:
15.08
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.
2dn8 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF00364
(Biotin_lipoyl) 		4 TYR A  45
THR A  29
TYR A  67
LEU A  75
 None
 1.28A 6cnjD-2dn8A:
undetectable
6cnjE-2dn8A:
undetectable		 6cnjD-2dn8A:
28.09
6cnjE-2dn8A:
25.51
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.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		4 THR A 181
CYH A  56
CYH A 153
LEU A 212
 None
 1.44A 6cnjD-2fafA:
undetectable
6cnjE-2fafA:
undetectable		 6cnjD-2fafA:
10.07
6cnjE-2fafA:
9.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TYR A 823
THR A 783
CYH A 803
TRP A 795
 None
 1.17A 6cnjD-2i1yA:
undetectable
6cnjE-2i1yA:
undetectable		 6cnjD-2i1yA:
12.41
6cnjE-2i1yA:
14.43
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.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 TYR A 118
TRP A 325
THR A 229
LEU A 147
 None
 0.88A 6cnjD-2ipiA:
undetectable
6cnjE-2ipiA:
undetectable		 6cnjD-2ipiA:
9.00
6cnjE-2ipiA:
9.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p0k POLYCOMB PROTEIN
SCMH1

(Homo sapiens) 		PF02820
(MBT) 		4 THR A 200
CYH A 212
TYR A 210
LEU A 173
 None
 1.36A 6cnjD-2p0kA:
undetectable
6cnjE-2p0kA:
undetectable		 6cnjD-2p0kA:
16.76
6cnjE-2p0kA:
17.79
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.
2ppq HOMOSERINE KINASE

(Agrobacterium
fabrum) 		PF01636
(APH) 		4 TYR A 222
TRP A 148
TRP A 181
LEU A 177
 None
 1.40A 6cnjD-2ppqA:
undetectable
6cnjE-2ppqA:
undetectable		 6cnjD-2ppqA:
14.33
6cnjE-2ppqA:
13.23
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.
2qep RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE N2

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 TYR A 859
THR A 819
CYH A 839
TRP A 831
 None
 1.13A 6cnjD-2qepA:
undetectable
6cnjE-2qepA:
undetectable		 6cnjD-2qepA:
15.38
6cnjE-2qepA:
14.72
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.
2r5m POLYCOMB PROTEIN SCM

(Drosophila
melanogaster) 		PF02820
(MBT) 		4 THR A 347
CYH A 359
TYR A 357
LEU A 320
 None
 1.47A 6cnjD-2r5mA:
undetectable
6cnjE-2r5mA:
undetectable		 6cnjD-2r5mA:
14.64
6cnjE-2r5mA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v40 ADENYLOSUCCINATE
SYNTHETASE ISOZYME 2

(Homo sapiens) 		PF00709
(Adenylsucc_synt) 		4 TYR A 428
THR A 361
TYR A 300
TRP A 408
 None
GDP  A1457 ( 4.6A)
None
None
 1.34A 6cnjD-2v40A:
undetectable
6cnjE-2v40A:
undetectable		 6cnjD-2v40A:
12.85
6cnjE-2v40A:
10.97
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.
2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Schistosoma
mansoni) 		PF00462
(Glutaredoxin)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 TYR A 521
THR A 584
CYH A 526
LEU A 581
 None
 1.45A 6cnjD-2v6oA:
undetectable
6cnjE-2v6oA:
3.0		 6cnjD-2v6oA:
10.22
6cnjE-2v6oA:
9.95
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		4 TYR A   8
THR A 479
TRP A 375
LEU A 476
 None
 1.40A 6cnjD-2z5lA:
undetectable
6cnjE-2z5lA:
undetectable		 6cnjD-2z5lA:
9.56
6cnjE-2z5lA:
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.
3f1t UNCHARACTERIZED
PROTEIN Q9I3C8_PSEAE

(Pseudomonas
aeruginosa) 		PF03061
(4HBT) 		4 TYR A  90
THR A  61
CYH A  67
LEU A  86
 None
 1.43A 6cnjD-3f1tA:
undetectable
6cnjE-3f1tA:
undetectable		 6cnjD-3f1tA:
20.42
6cnjE-3f1tA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 THR A 428
CYH A 281
TYR A 456
LEU A 446
 None
 1.08A 6cnjD-3fahA:
undetectable
6cnjE-3fahA:
undetectable		 6cnjD-3fahA:
6.01
6cnjE-3fahA:
6.55
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.
3h6z POLYCOMB PROTEIN
SFMBT

(Drosophila
melanogaster) 		PF02820
(MBT) 		4 TYR A 606
TRP A 564
THR A 553
LEU A 567
 None
 1.33A 6cnjD-3h6zA:
undetectable
6cnjE-3h6zA:
undetectable		 6cnjD-3h6zA:
10.93
6cnjE-3h6zA:
11.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hid ADENYLOSUCCINATE
SYNTHETASE

(Yersinia pestis) 		PF00709
(Adenylsucc_synt) 		4 TYR A 399
THR A 331
TYR A 270
TRP A 379
 None
 1.40A 6cnjD-3hidA:
undetectable
6cnjE-3hidA:
3.0		 6cnjD-3hidA:
11.11
6cnjE-3hidA:
13.81
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.
3i0u PHOSPHOTHREONINE
LYASE OSPF

(Shigella
flexneri) 		PF03536
(VRP3) 		4 THR A 136
CYH A  64
TYR A  60
TRP A 133
 None
 1.33A 6cnjD-3i0uA:
undetectable
6cnjE-3i0uA:
undetectable		 6cnjD-3i0uA:
16.29
6cnjE-3i0uA:
17.55
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.
3imh GALACTOSE-1-EPIMERAS
E

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		4 TYR A   8
THR A  37
TYR A  34
LEU A  52
 None
None
GOL  A 343 (-4.9A)
None
 1.40A 6cnjD-3imhA:
undetectable
6cnjE-3imhA:
undetectable		 6cnjD-3imhA:
12.33
6cnjE-3imhA:
11.54
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF15
PRE-MRNA-SPLICING
FACTOR PRP5

(Schizosaccharomyces
pombe) 		PF00400
(WD40)
PF01423
(LSM) 		4 THR K 278
CYH K 231
TYR K 243
LEU h  35
 None
 1.29A 6cnjD-3jb9K:
undetectable
6cnjE-3jb9K:
undetectable		 6cnjD-3jb9K:
15.44
6cnjE-3jb9K:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF19

(Schizosaccharomyces
pombe) 		no annotation 4 THR c 503
CYH c 412
TRP c 613
LEU c 414
 None
ZN  c 701 ( 2.0A)
None
ZN  c 701 ( 4.5A)
 1.46A 6cnjD-3jb9c:
undetectable
6cnjE-3jb9c:
undetectable		 6cnjD-3jb9c:
8.89
6cnjE-3jb9c:
8.87
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.
3kya PUTATIVE PHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		4 TYR A 180
THR A 489
CYH A 157
TRP A 144
 None
None
None
ACT  A  17 (-3.8A)
 1.22A 6cnjD-3kyaA:
undetectable
6cnjE-3kyaA:
undetectable		 6cnjD-3kyaA:
8.27
6cnjE-3kyaA:
9.85
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.
3lto MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Legionella
pneumophila) 		no annotation 4 TYR A 181
TRP A 236
THR A 237
CYH A 243
 None
 1.24A 6cnjD-3ltoA:
undetectable
6cnjE-3ltoA:
undetectable		 6cnjD-3ltoA:
12.30
6cnjE-3ltoA:
15.64
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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		4 TYR A 370
TRP A  12
CYH A  73
LEU A  69
 None
 1.39A 6cnjD-3nbuA:
undetectable
6cnjE-3nbuA:
undetectable		 6cnjD-3nbuA:
11.95
6cnjE-3nbuA:
9.26
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		4 TYR A 369
THR A 873
TRP A 404
LEU A 571
 None
 1.30A 6cnjD-3o8oA:
undetectable
6cnjE-3o8oA:
undetectable		 6cnjD-3o8oA:
7.26
6cnjE-3o8oA:
10.35
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.
3ofl L1

(Alphapapillomavirus
7) 		PF00500
(Late_protein_L1) 		4 TYR A  35
THR A  88
TRP A 100
LEU A  98
 None
 1.14A 6cnjD-3oflA:
undetectable
6cnjE-3oflA:
undetectable		 6cnjD-3oflA:
11.56
6cnjE-3oflA:
11.90
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.
3otd TRNA(HIS)
GUANYLYLTRANSFERASE

(Homo sapiens) 		PF04446
(Thg1)
PF14413
(Thg1C) 		4 THR A 210
CYH A 151
TYR A  72
LEU A  51
 IOD  A 270 ( 4.6A)
None
None
None
 1.22A 6cnjD-3otdA:
undetectable
6cnjE-3otdA:
undetectable		 6cnjD-3otdA:
14.66
6cnjE-3otdA:
13.41
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.
3pe8 ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		4 TYR A 109
TRP A 134
THR A 133
LEU A  66
 None
 1.30A 6cnjD-3pe8A:
undetectable
6cnjE-3pe8A:
undetectable		 6cnjD-3pe8A:
16.59
6cnjE-3pe8A:
17.33
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.
3qom 6-PHOSPHO-BETA-GLUCO
SIDASE

(Lactobacillus
plantarum) 		PF00232
(Glyco_hydro_1) 		4 TYR A 157
TRP A  94
TRP A 148
LEU A 141
 None
 1.32A 6cnjD-3qomA:
undetectable
6cnjE-3qomA:
undetectable		 6cnjD-3qomA:
9.36
6cnjE-3qomA:
11.54
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.
3qv2 5-CYTOSINE DNA
METHYLTRANSFERASE

(Entamoeba
histolytica) 		PF00145
(DNA_methylase) 		4 TYR A 107
TRP A  75
TYR A 147
LEU A 114
 None
 1.34A 6cnjD-3qv2A:
undetectable
6cnjE-3qv2A:
undetectable		 6cnjD-3qv2A:
12.69
6cnjE-3qv2A:
13.06
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 TYR A 637
THR A 582
CYH A 603
TRP A 634
 None
 1.38A 6cnjD-3sdqA:
2.7
6cnjE-3sdqA:
3.7		 6cnjD-3sdqA:
6.80
6cnjE-3sdqA:
7.31
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.
3sqn CONSERVED DOMAIN
PROTEIN

(Enterococcus
faecalis) 		PF05043
(Mga) 		4 TYR A 274
TRP A 268
THR A 200
LEU A 265
 None
 1.31A 6cnjD-3sqnA:
undetectable
6cnjE-3sqnA:
undetectable		 6cnjD-3sqnA:
9.48
6cnjE-3sqnA:
10.10
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.
3sqn CONSERVED DOMAIN
PROTEIN

(Enterococcus
faecalis) 		PF05043
(Mga) 		4 TYR A 274
TRP A 268
TYR A 270
LEU A 265
 None
 1.10A 6cnjD-3sqnA:
undetectable
6cnjE-3sqnA:
undetectable		 6cnjD-3sqnA:
9.48
6cnjE-3sqnA:
10.10
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.
3u99 DIHEME CYTOCHROME C

(Shewanella
baltica) 		PF09626
(DHC) 		4 TYR A  15
CYH A 121
TRP A  36
LEU A  30
 HEC  A 700 ( 4.4A)
HEC  A 500 (-1.9A)
None
HEC  A 500 ( 3.8A)
 1.45A 6cnjD-3u99A:
undetectable
6cnjE-3u99A:
undetectable		 6cnjD-3u99A:
21.33
6cnjE-3u99A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umb DEHALOGENASE-LIKE
HYDROLASE

(Ralstonia
solanacearum) 		PF00702
(Hydrolase) 		4 TRP A 190
THR A 189
TYR A 161
LEU A 208
 None
 1.37A 6cnjD-3umbA:
undetectable
6cnjE-3umbA:
undetectable		 6cnjD-3umbA:
14.29
6cnjE-3umbA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbz LIKELY HISTIDYL
TRNA-SPECIFIC
GUANYLYLTRANSFERASE

(Candida
albicans) 		PF04446
(Thg1)
PF14413
(Thg1C) 		4 THR A 212
CYH A 153
TYR A  72
LEU A  51
 None
None
None
ATP  A 401 (-4.0A)
 1.31A 6cnjD-3wbzA:
undetectable
6cnjE-3wbzA:
undetectable		 6cnjD-3wbzA:
14.50
6cnjE-3wbzA:
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.
3zdh ACETYLCHOLINE
BINDING PROTEIN

(Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		4 TYR A  89
TRP A 143
THR A 144
TYR A 192
 None
XRS  A 301 (-3.6A)
XRS  A 301 ( 4.4A)
XRS  A 301 (-3.8A)
 0.49A 6cnjD-3zdhA:
20.2
6cnjE-3zdhA:
21.0		 6cnjD-3zdhA:
19.17
6cnjE-3zdhA:
17.56
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.
4a7l MYOSIN IE HEAVY
CHAIN

(Dictyostelium
discoideum) 		PF00063
(Myosin_head) 		4 TYR C 182
CYH C  96
TYR C 163
LEU C 413
 None
 1.45A 6cnjD-4a7lC:
2.5
6cnjE-4a7lC:
2.2		 6cnjD-4a7lC:
8.41
6cnjE-4a7lC:
7.43
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.
4be3 ALGINATE LYASE,
FAMILY PL7

(Zobellia
galactanivorans) 		PF08787
(Alginate_lyase2) 		4 TYR A  75
THR A  89
TYR A 328
LEU A  56
 None
 1.43A 6cnjD-4be3A:
undetectable
6cnjE-4be3A:
undetectable		 6cnjD-4be3A:
15.02
6cnjE-4be3A:
15.72
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.
4bi5 TRIOSEPHOSPHATE
ISOMERASE

(Giardia
intestinalis) 		PF00121
(TIM) 		4 TYR A 169
THR A 182
CYH A 228
LEU A 225
 None
 1.43A 6cnjD-4bi5A:
undetectable
6cnjE-4bi5A:
undetectable		 6cnjD-4bi5A:
13.39
6cnjE-4bi5A:
14.51
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.
4bu0 S-M CHECKPOINT
CONTROL PROTEIN RAD4

(Schizosaccharomyces
pombe) 		PF12738
(PTCB-BRCT) 		4 THR A  27
CYH A  14
TYR A  36
TRP A  74
 None
 1.28A 6cnjD-4bu0A:
undetectable
6cnjE-4bu0A:
undetectable		 6cnjD-4bu0A:
15.87
6cnjE-4bu0A:
19.77
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.
4bu0 S-M CHECKPOINT
CONTROL PROTEIN RAD4

(Schizosaccharomyces
pombe) 		PF12738
(PTCB-BRCT) 		4 THR A  27
CYH A  14
TYR A  36
TRP A  74
 None
 1.39A 6cnjD-4bu0A:
undetectable
6cnjE-4bu0A:
undetectable		 6cnjD-4bu0A:
15.87
6cnjE-4bu0A:
19.77
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		4 TYR A 219
TYR A 229
TRP A 214
LEU A 211
 None
 1.32A 6cnjD-4c90A:
4.0
6cnjE-4c90A:
4.4		 6cnjD-4c90A:
6.01
6cnjE-4c90A:
7.92
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.
4el1 PROTEIN
DISULFIDE-ISOMERASE

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		4 THR A 462
TYR A 457
TRP A 407
LEU A 410
 None
 1.35A 6cnjD-4el1A:
undetectable
6cnjE-4el1A:
undetectable		 6cnjD-4el1A:
11.62
6cnjE-4el1A:
12.05
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.
4fmv GLUCURONOARABINOXYLA
N
ENDO-1,4-BETA-XYLANA
SE

([Clostridium]
papyrosolvens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 TYR A 264
THR A 268
TYR A 281
LEU A  37
 None
 1.25A 6cnjD-4fmvA:
undetectable
6cnjE-4fmvA:
undetectable		 6cnjD-4fmvA:
11.03
6cnjE-4fmvA:
14.14
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.
4guz PROBABLE ARYLAMINE
N-ACETYL TRANSFERASE

(Mycobacteroides
abscessus) 		PF00797
(Acetyltransf_2) 		4 TYR A  12
THR A  28
CYH A 124
LEU A  84
 None
 1.36A 6cnjD-4guzA:
undetectable
6cnjE-4guzA:
undetectable		 6cnjD-4guzA:
13.98
6cnjE-4guzA:
14.44
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.
4guz PROBABLE ARYLAMINE
N-ACETYL TRANSFERASE

(Mycobacteroides
abscessus) 		PF00797
(Acetyltransf_2) 		4 TYR A  12
THR A  28
CYH A 124
LEU A  84
 None
 1.36A 6cnjD-4guzA:
undetectable
6cnjE-4guzA:
undetectable		 6cnjD-4guzA:
13.98
6cnjE-4guzA:
14.44
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.
4h59 IRON-COMPOUND ABC
TRANSPORTER, IRON
COMPOUND-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01497
(Peripla_BP_2) 		4 THR A 212
CYH A 315
TYR A 276
LEU A 235
 None
 1.44A 6cnjD-4h59A:
undetectable
6cnjE-4h59A:
undetectable		 6cnjD-4h59A:
15.31
6cnjE-4h59A:
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.
4hqp ALPHA7 NICOTINIC
RECEPTOR CHIMERA

(Homo sapiens;
Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		4 TYR A  91
TRP A 145
THR A 146
TYR A 191
 None
 0.61A 6cnjD-4hqpA:
20.9
6cnjE-4hqpA:
22.2		 6cnjD-4hqpA:
17.01
6cnjE-4hqpA:
13.94
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.
4icq AMINOPEPTIDASE PEPS

(Streptococcus
pneumoniae) 		PF02073
(Peptidase_M29) 		4 THR A 223
CYH A 320
TYR A 215
LEU A 226
 None
 1.32A 6cnjD-4icqA:
undetectable
6cnjE-4icqA:
undetectable		 6cnjD-4icqA:
14.76
6cnjE-4icqA:
11.47
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.
4jjt ENOYL-COA HYDRATASE

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		4 TYR A 108
TRP A 133
THR A 132
LEU A  65
 None
GOL  A 301 (-4.3A)
GOL  A 301 (-2.8A)
GOL  A 301 (-3.9A)
 1.35A 6cnjD-4jjtA:
undetectable
6cnjE-4jjtA:
undetectable		 6cnjD-4jjtA:
15.35
6cnjE-4jjtA:
14.23
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.
4knw N-ACYLNEURAMINATE-9-
PHOSPHATASE

(Homo sapiens) 		PF13419
(HAD_2) 		4 THR A  18
CYH A 149
CYH A 147
LEU A 131
 None
 1.47A 6cnjD-4knwA:
undetectable
6cnjE-4knwA:
undetectable		 6cnjD-4knwA:
15.08
6cnjE-4knwA:
14.40
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		4 TYR A 293
THR A 296
CYH A 378
LEU A 374
 None
 1.36A 6cnjD-4krgA:
undetectable
6cnjE-4krgA:
undetectable		 6cnjD-4krgA:
12.25
6cnjE-4krgA:
11.08
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		4 TYR A 923
THR A1082
CYH A1088
LEU A1022
 None
 1.45A 6cnjD-4n78A:
3.3
6cnjE-4n78A:
7.2		 6cnjD-4n78A:
5.57
6cnjE-4n78A:
5.50
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.
4nap EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 7

(Desulfovibrio
alaskensis) 		PF03480
(DctP) 		4 TYR A  37
TRP A  54
THR A 146
LEU A 258
 None
 1.28A 6cnjD-4napA:
undetectable
6cnjE-4napA:
2.1		 6cnjD-4napA:
14.10
6cnjE-4napA:
14.38
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		4 TYR A 109
THR A 678
TYR A 128
LEU A 688
 None
 1.20A 6cnjD-4p7hA:
2.7
6cnjE-4p7hA:
undetectable		 6cnjD-4p7hA:
5.46
6cnjE-4p7hA:
7.34
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.
4q85 RIBOSOMAL PROTEIN
S12
METHYLTHIOTRANSFERAS
E ACCESSORY FACTOR
YCAO

(Escherichia
coli) 		PF02624
(YcaO) 		4 TYR A 573
THR A  82
TYR A 103
LEU A 378
 None
 1.06A 6cnjD-4q85A:
2.4
6cnjE-4q85A:
2.6		 6cnjD-4q85A:
8.11
6cnjE-4q85A:
9.66
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.
4u48 PUTATIVE INNER
MEMBRANE LIPOPROTEIN

(Salmonella
enterica) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
PF11974
(MG1) 		4 TYR A1626
THR A1183
TYR A1248
LEU A1172
 None
 1.24A 6cnjD-4u48A:
undetectable
6cnjE-4u48A:
2.9		 6cnjD-4u48A:
4.13
6cnjE-4u48A:
3.77
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.
4uac CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-)

([Eubacterium]
rectale) 		PF13416
(SBP_bac_8) 		4 THR A  45
CYH A  65
TYR A  81
LEU A 322
 EDO  A 505 (-2.8A)
None
None
None
 1.40A 6cnjD-4uacA:
undetectable
6cnjE-4uacA:
undetectable		 6cnjD-4uacA:
11.93
6cnjE-4uacA:
9.47
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.
4w6v DI-/TRIPEPTIDE
TRANSPORTER

(Yersinia
enterocolitica) 		PF00854
(PTR2) 		4 TYR A 211
THR A 142
TYR A 144
LEU A  23
 None
 1.38A 6cnjD-4w6vA:
3.0
6cnjE-4w6vA:
2.9		 6cnjD-4w6vA:
9.63
6cnjE-4w6vA:
11.62
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.
4x9e DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Escherichia
coli) 		PF01966
(HD) 		4 TYR A 242
TRP A 203
THR A 202
LEU A 250
 None
 1.37A 6cnjD-4x9eA:
2.1
6cnjE-4x9eA:
undetectable		 6cnjD-4x9eA:
10.08
6cnjE-4x9eA:
11.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aca VP1

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		4 TYR 1 172
THR 1  47
CYH 1  80
LEU 1  43
 None
 1.43A 6cnjD-5aca1:
undetectable
6cnjE-5aca1:
undetectable		 6cnjD-5aca1:
14.22
6cnjE-5aca1:
17.21
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 4 TYR A 213
CYH A 376
TYR A  40
LEU A 292
 None
 1.39A 6cnjD-5ah0A:
undetectable
6cnjE-5ah0A:
undetectable		 6cnjD-5ah0A:
12.87
6cnjE-5ah0A:
11.97
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.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		4 TYR A 224
TRP A 133
CYH A 158
LEU A 155
 None
 1.15A 6cnjD-5by6A:
undetectable
6cnjE-5by6A:
undetectable		 6cnjD-5by6A:
13.27
6cnjE-5by6A:
15.03
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.
5fft PULMONARY
SURFACTANT-ASSOCIATE
D PROTEIN A

(Rattus
norvegicus) 		PF00059
(Lectin_C) 		4 TYR A 188
TRP A 213
THR A 212
LEU A 167
 None
SME  A 169 ( 4.1A)
None
SME  A 169 ( 3.7A)
 1.13A 6cnjD-5fftA:
undetectable
6cnjE-5fftA:
undetectable		 6cnjD-5fftA:
16.67
6cnjE-5fftA:
23.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 TYR A 122
TRP A 178
THR A 179
TYR A 226
 EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.3A)
EPJ  A 300 (-3.7A)
 0.68A 6cnjD-5fjvA:
23.3
6cnjE-5fjvA:
24.1		 6cnjD-5fjvA:
59.38
6cnjE-5fjvA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gvb WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1

(Homo sapiens) 		PF12341
(Mcl1_mid) 		4 TYR A 640
TRP A 658
THR A 657
LEU A 614
 None
 1.48A 6cnjD-5gvbA:
3.5
6cnjE-5gvbA:
4.6		 6cnjD-5gvbA:
10.80
6cnjE-5gvbA:
11.54
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.
5i1w CRMK

(Actinoalloteichus
sp. WH1-2216-6) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 TYR A 112
TRP A 319
THR A 322
LEU A 141
 None
 1.46A 6cnjD-5i1wA:
undetectable
6cnjE-5i1wA:
undetectable		 6cnjD-5i1wA:
12.38
6cnjE-5i1wA:
10.00
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.
5i33 ADENYLOSUCCINATE
SYNTHETASE

(Cryptococcus
neoformans) 		PF00709
(Adenylsucc_synt) 		4 TYR A 402
THR A 335
TYR A 274
TRP A 382
 None
 1.32A 6cnjD-5i33A:
undetectable
6cnjE-5i33A:
undetectable		 6cnjD-5i33A:
11.63
6cnjE-5i33A:
11.82
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.
5jo7 VETISPIRADIENE
SYNTHASE 1

(Hyoscyamus
muticus) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 TYR A 285
THR A 417
TYR A 419
LEU A 519
 None
 1.45A 6cnjD-5jo7A:
2.4
6cnjE-5jo7A:
undetectable		 6cnjD-5jo7A:
10.32
6cnjE-5jo7A:
10.95
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.
5kd0 AROMATIC
PRENYLTRANSFERASE

(Aspergillus
terreus) 		PF11991
(Trp_DMAT) 		4 TYR A  59
THR A  37
CYH A 103
LEU A  42
 None
 1.38A 6cnjD-5kd0A:
undetectable
6cnjE-5kd0A:
undetectable		 6cnjD-5kd0A:
12.83
6cnjE-5kd0A:
11.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 TYR A 100
TRP A 156
THR A 157
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 (-3.8A)
 0.34A 6cnjD-5kxiA:
36.2
6cnjE-5kxiA:
15.4		 6cnjD-5kxiA:
100.00
6cnjE-5kxiA:
12.96
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.
5m6q UNCHARACTERIZED
PROTEIN

(Kutzneria
albida) 		PF09017
(Transglut_prok) 		4 TYR A  22
TRP A 187
TYR A  29
TRP A  17
 None
None
None
PG4  A 305 ( 4.2A)
 1.14A 6cnjD-5m6qA:
undetectable
6cnjE-5m6qA:
undetectable		 6cnjD-5m6qA:
15.56
6cnjE-5m6qA:
18.96
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 4 TRP B 234
THR B 230
TRP B 250
LEU B 393
 None
 1.08A 6cnjD-5nd1B:
undetectable
6cnjE-5nd1B:
undetectable		 6cnjD-5nd1B:
20.45
6cnjE-5nd1B:
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.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		4 TRP A 418
THR A 414
CYH A 453
LEU A 404
 None
 1.12A 6cnjD-5nvrA:
2.7
6cnjE-5nvrA:
4.0		 6cnjD-5nvrA:
5.25
6cnjE-5nvrA:
6.09
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.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		4 TRP A 418
THR A 414
CYH A 453
LEU A 404
 None
 1.32A 6cnjD-5nvrA:
2.7
6cnjE-5nvrA:
4.0		 6cnjD-5nvrA:
5.25
6cnjE-5nvrA:
6.09
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.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium) 		no annotation 4 TYR A 233
THR A  35
CYH A  50
LEU A 120
 None
A3P  A 301 (-2.8A)
None
None
 1.21A 6cnjD-5tiwA:
undetectable
6cnjE-5tiwA:
undetectable		 6cnjD-5tiwA:
13.44
6cnjE-5tiwA:
12.20
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.
5w3l VIRAL PROTEIN 3

(Rhinovirus B) 		PF00073
(Rhv) 		4 TYR B 117
THR B 193
CYH B 189
TRP B 153
 None
 1.47A 6cnjD-5w3lB:
undetectable
6cnjE-5w3lB:
undetectable		 6cnjD-5w3lB:
18.06
6cnjE-5w3lB:
17.90
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.
5wai POLYCOMB PROTEIN
SUZ12

(Homo sapiens) 		no annotation 4 TYR B 117
CYH B 450
CYH B 453
LEU B 467
 None
ZN  B1001 (-2.1A)
ZN  B1001 (-2.2A)
None
 1.36A 6cnjD-5waiB:
undetectable
6cnjE-5waiB:
undetectable		 6cnjD-5waiB:
22.09
6cnjE-5waiB:
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.
5y9c MAJOR CAPSID PROTEIN
L1

(Alphapapillomavirus
9) 		no annotation 4 TYR A  35
THR A  89
TRP A 101
LEU A  99
 None
 1.11A 6cnjD-5y9cA:
undetectable
6cnjE-5y9cA:
undetectable		 6cnjD-5y9cA:
10.88
6cnjE-5y9cA:
10.68
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.
6b7p SDED

(Legionella
pneumophila) 		no annotation 4 TYR A 232
THR A  75
CYH A 294
LEU A   5
 None
 1.42A 6cnjD-6b7pA:
undetectable
6cnjE-6b7pA:
undetectable		 6cnjD-6b7pA:
17.05
6cnjE-6b7pA:
14.63
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.
6bs7 ADENYLOSUCCINATE
SYNTHETASE

(Legionella
pneumophila) 		no annotation 4 TYR A 399
THR A 331
TYR A 270
TRP A 379
 None
 1.38A 6cnjD-6bs7A:
undetectable
6cnjE-6bs7A:
undetectable		 6cnjD-6bs7A:
17.65
6cnjE-6bs7A:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 4 TYR A 369
TRP A  14
CYH A  73
LEU A  69
 None
 1.37A 6cnjD-6bzcA:
undetectable
6cnjE-6bzcA:
2.0		 6cnjD-6bzcA:
24.75
6cnjE-6bzcA:
15.66
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.
6c1d UNCONVENTIONAL
MYOSIN-IB

(Rattus
norvegicus) 		no annotation 4 THR P 107
CYH P 407
TYR P 389
LEU P 386
 None
 1.44A 6cnjD-6c1dP:
2.5
6cnjE-6c1dP:
1.2		 6cnjD-6c1dP:
25.81
6cnjE-6c1dP:
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.
6esd FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA

(Chromobacterium
violaceum) 		no annotation 4 TYR B 329
TRP B 318
THR B 310
LEU B 295
 None
 1.31A 6cnjD-6esdB:
undetectable
6cnjE-6esdB:
undetectable		 6cnjD-6esdB:
21.43
6cnjE-6esdB:
16.09
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT 6
NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT 9

(Mus musculus) 		no annotation 4 THR i   4
CYH n   3
TYR i   3
LEU n 153
 None
 1.48A 6cnjD-6g72i:
undetectable
6cnjE-6g72i:
undetectable		 6cnjD-6g72i:
20.24
6cnjE-6g72i:
17.86