SIMILAR PATTERNS OF AMINO ACIDS FOR 5JSD_B_1GNB606_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		3 TYR A 193
TYR A 122
GLN A 109
 None
 1.07A 5jsdB-1auaA:
0.0
5jsdC-1auaA:
0.0		 5jsdB-1auaA:
17.03
5jsdC-1auaA:
17.03
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.
1b5t PROTEIN
(METHYLENETETRAHYDRO
FOLATE REDUCTASE)

(Escherichia
coli) 		PF02219
(MTHFR) 		3 TYR A 275
TYR A 152
GLN A 183
 None
FAD  A 395 (-4.2A)
FAD  A 395 ( 4.4A)
 0.99A 5jsdB-1b5tA:
0.0
5jsdC-1b5tA:
0.0		 5jsdB-1b5tA:
16.74
5jsdC-1b5tA:
16.74
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.
1enf ENTEROTOXIN H

(Staphylococcus
aureus) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		3 TYR A 193
TYR A 153
GLN A  20
 None
 1.17A 5jsdB-1enfA:
0.0
5jsdC-1enfA:
0.0		 5jsdB-1enfA:
16.95
5jsdC-1enfA:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fou UPPER COLLAR PROTEIN

(Bacillus virus
phi29) 		PF05352
(Phage_connector) 		3 TYR A 109
TYR A  87
GLN A  89
 None
 1.14A 5jsdB-1fouA:
0.0
5jsdC-1fouA:
0.0		 5jsdB-1fouA:
19.71
5jsdC-1fouA:
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.
1lw3 MYOTUBULARIN-RELATED
PROTEIN 2

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		3 TYR A 439
TYR A 215
GLN A 218
 None
 0.98A 5jsdB-1lw3A:
0.0
5jsdC-1lw3A:
0.0		 5jsdB-1lw3A:
21.27
5jsdC-1lw3A:
21.27
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.
1m0w GLUTATHIONE
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		3 TYR A  72
TYR A 131
GLN A 144
 None
 1.02A 5jsdB-1m0wA:
0.0
5jsdC-1m0wA:
0.0		 5jsdB-1m0wA:
21.64
5jsdC-1m0wA:
21.64
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.
1mhc MHC CLASS I ANTIGEN
H2-M3

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 TYR A  59
TYR A   7
GLN A  34
 None
 1.04A 5jsdB-1mhcA:
0.0
5jsdC-1mhcA:
0.0		 5jsdB-1mhcA:
17.85
5jsdC-1mhcA:
17.85
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.
1odt CEPHALOSPORIN C
DEACETYLASE

(Bacillus
subtilis) 		PF05448
(AXE1) 		3 TYR C 149
TYR C 206
GLN C 182
 None
ACT  C1318 (-3.6A)
None
 1.16A 5jsdB-1odtC:
0.4
5jsdC-1odtC:
0.0		 5jsdB-1odtC:
17.33
5jsdC-1odtC:
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.
1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		3 TYR A 144
TYR A  29
GLN A 150
 NHE  A 354 (-4.9A)
NHE  A 354 (-4.9A)
NHE  A 354 (-3.4A)
 0.94A 5jsdB-1q1qA:
0.0
5jsdC-1q1qA:
0.0		 5jsdB-1q1qA:
18.57
5jsdC-1q1qA:
18.57
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.
1q20 SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
B

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		3 TYR A  44
TYR A 159
GLN A 185
 None
 1.01A 5jsdB-1q20A:
undetectable
5jsdC-1q20A:
undetectable		 5jsdB-1q20A:
16.62
5jsdC-1q20A:
16.62
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.
1q20 SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
B

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		3 TYR A 159
TYR A  44
GLN A 165
 None
None
PLO  A 401 (-4.1A)
 0.81A 5jsdB-1q20A:
undetectable
5jsdC-1q20A:
undetectable		 5jsdB-1q20A:
16.62
5jsdC-1q20A:
16.62
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.
1tvz 3-HYDROXY-3-METHYLGL
UTARYL-COA SYNTHASE

(Staphylococcus
aureus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		3 TYR A 346
TYR A 193
GLN A 153
 None
 1.17A 5jsdB-1tvzA:
undetectable
5jsdC-1tvzA:
undetectable		 5jsdB-1tvzA:
19.03
5jsdC-1tvzA:
19.03
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.
1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Thermus
thermophilus) 		PF02219
(MTHFR) 		3 TYR A 272
TYR A 149
GLN A 180
 None
FAD  A 300 (-4.3A)
FAD  A 300 (-4.3A)
 1.00A 5jsdB-1v93A:
undetectable
5jsdC-1v93A:
undetectable		 5jsdB-1v93A:
17.58
5jsdC-1v93A:
17.58
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.
1zsq MYOTUBULARIN-RELATED
PROTEIN 2

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		3 TYR A 439
TYR A 215
GLN A 218
 None
 0.95A 5jsdB-1zsqA:
undetectable
5jsdC-1zsqA:
undetectable		 5jsdB-1zsqA:
21.36
5jsdC-1zsqA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		3 TYR A  51
TYR A 335
GLN A 333
 None
 1.00A 5jsdB-2aaaA:
undetectable
5jsdC-2aaaA:
undetectable		 5jsdB-2aaaA:
23.86
5jsdC-2aaaA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aam HYPOTHETICAL PROTEIN
TM1410

(Thermotoga
maritima) 		PF03537
(Glyco_hydro_114) 		3 TYR A 262
TYR A  89
GLN A 202
 None
UNL  A   1 (-3.8A)
GOL  A  14 (-2.9A)
 1.09A 5jsdB-2aamA:
undetectable
5jsdC-2aamA:
undetectable		 5jsdB-2aamA:
18.02
5jsdC-2aamA:
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.
2c1w ENDOU PROTEIN

(Xenopus laevis) 		PF09412
(XendoU) 		3 TYR A  33
TYR A 263
GLN A 211
 None
 1.11A 5jsdB-2c1wA:
undetectable
5jsdC-2c1wA:
undetectable		 5jsdB-2c1wA:
16.99
5jsdC-2c1wA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 TYR A  91
TYR A 467
GLN A 427
 None
 1.06A 5jsdB-2g3nA:
undetectable
5jsdC-2g3nA:
undetectable		 5jsdB-2g3nA:
23.38
5jsdC-2g3nA:
23.38
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.
2gas ISOFLAVONE REDUCTASE

(Medicago sativa) 		PF05368
(NmrA) 		3 TYR A 199
TYR A 277
GLN A 281
 None
 1.06A 5jsdB-2gasA:
undetectable
5jsdC-2gasA:
undetectable		 5jsdB-2gasA:
17.51
5jsdC-2gasA:
17.51
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.
2jek RV1873

(Mycobacterium
tuberculosis) 		PF08837
(DUF1810) 		3 TYR A  68
TYR A  21
GLN A  17
 None
 1.07A 5jsdB-2jekA:
undetectable
5jsdC-2jekA:
undetectable		 5jsdB-2jekA:
10.53
5jsdC-2jekA:
10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgz G2/MITOTIC-SPECIFIC
CYCLIN-B1

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		3 TYR B 404
TYR B 224
GLN B 220
 None
 1.04A 5jsdB-2jgzB:
undetectable
5jsdC-2jgzB:
undetectable		 5jsdB-2jgzB:
15.63
5jsdC-2jgzB:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 TYR A1135
TYR A1400
GLN A1153
 None
 1.02A 5jsdB-2nlkA:
undetectable
5jsdC-2nlkA:
undetectable		 5jsdB-2nlkA:
21.40
5jsdC-2nlkA:
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.
2q03 UNCHARACTERIZED
PROTEIN

(Shewanella
denitrificans) 		PF11528
(DUF3224) 		3 TYR A  54
TYR A  42
GLN A  40
 None
 0.97A 5jsdB-2q03A:
undetectable
5jsdC-2q03A:
undetectable		 5jsdB-2q03A:
10.97
5jsdC-2q03A:
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.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		3 TYR A 421
TYR A 414
GLN A  77
 None
 1.06A 5jsdB-2vqrA:
undetectable
5jsdC-2vqrA:
undetectable		 5jsdB-2vqrA:
21.76
5jsdC-2vqrA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xst LIPOCALIN 15

(Homo sapiens) 		PF00061
(Lipocalin) 		3 TYR A 106
TYR A 139
GLN A 137
 None
 0.88A 5jsdB-2xstA:
undetectable
5jsdC-2xstA:
undetectable		 5jsdB-2xstA:
13.00
5jsdC-2xstA:
13.00
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.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 TYR A  43
TYR A 419
GLN A 435
 None
 1.16A 5jsdB-2yfhA:
undetectable
5jsdC-2yfhA:
undetectable		 5jsdB-2yfhA:
21.79
5jsdC-2yfhA:
21.79
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.
2zwi ALPHA-/BETA-GALACTOS
IDE
ALPHA-2,3-SIALYLTRAN
SFERASE

(Photobacterium
phosphoreum) 		PF11477
(PM0188) 		3 TYR A 238
TYR A 146
GLN A  54
 None
 1.11A 5jsdB-2zwiA:
undetectable
5jsdC-2zwiA:
undetectable		 5jsdB-2zwiA:
19.48
5jsdC-2zwiA:
19.48
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.
3a58 GTP-BINDING PROTEIN
RHO1

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		3 TYR B  39
TYR B  71
GLN B  68
 GNP  B 301 (-4.4A)
None
None
 1.07A 5jsdB-3a58B:
undetectable
5jsdC-3a58B:
undetectable		 5jsdB-3a58B:
12.64
5jsdC-3a58B:
12.64
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.
3bci DISULFIDE BOND
PROTEIN A

(Staphylococcus
aureus) 		PF13462
(Thioredoxin_4) 		3 TYR A  52
TYR A  24
GLN A  86
 None
 1.17A 5jsdB-3bciA:
undetectable
5jsdC-3bciA:
undetectable		 5jsdB-3bciA:
13.01
5jsdC-3bciA:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		3 TYR A 352
TYR A  48
GLN A  45
 None
 1.09A 5jsdB-3c9fA:
undetectable
5jsdC-3c9fA:
undetectable		 5jsdB-3c9fA:
22.10
5jsdC-3c9fA:
22.10
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.
3dn7 CYCLIC NUCLEOTIDE
BINDING REGULATORY
PROTEIN

(Cytophaga
hutchinsonii) 		PF00027
(cNMP_binding) 		3 TYR A 129
TYR A 108
GLN A 111
 None
 1.10A 5jsdB-3dn7A:
undetectable
5jsdC-3dn7A:
undetectable		 5jsdB-3dn7A:
13.47
5jsdC-3dn7A:
13.47
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.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		3 TYR A 143
TYR A 187
GLN A 151
 None
 1.13A 5jsdB-3fydA:
undetectable
5jsdC-3fydA:
undetectable		 5jsdB-3fydA:
16.11
5jsdC-3fydA:
16.11
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		3 TYR A 143
TYR A 187
GLN A 151
 None
 1.07A 5jsdB-3gryA:
undetectable
5jsdC-3gryA:
undetectable		 5jsdB-3gryA:
21.02
5jsdC-3gryA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gwj ARYLPHORIN

(Antheraea
pernyi) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 TYR A 239
TYR A 101
GLN A 135
 None
 1.06A 5jsdB-3gwjA:
undetectable
5jsdC-3gwjA:
undetectable		 5jsdB-3gwjA:
20.66
5jsdC-3gwjA:
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.
3h6q MACROCYPIN 1A

(Macrolepiota
procera) 		no annotation 3 TYR A  91
TYR A 140
GLN A 144
 None
 1.09A 5jsdB-3h6qA:
undetectable
5jsdC-3h6qA:
undetectable		 5jsdB-3h6qA:
12.90
5jsdC-3h6qA:
12.90
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.
3jap EIF3A
EIF3C

(Saccharomyces
cerevisiae) 		PF00203
(Ribosomal_S19)
PF00411
(Ribosomal_S11) 		3 TYR p 733
TYR o 449
GLN o 445
 None
 1.05A 5jsdB-3japp:
undetectable
5jsdC-3japp:
undetectable		 5jsdB-3japp:
2.38
5jsdC-3japp:
2.38
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.
3rmg OCTAPRENYL-DIPHOSPHA
TE SYNTHASE

(Bacteroides
thetaiotaomicron) 		PF00348
(polyprenyl_synt) 		3 TYR A 284
TYR A 292
GLN A 291
 None
 1.11A 5jsdB-3rmgA:
undetectable
5jsdC-3rmgA:
undetectable		 5jsdB-3rmgA:
20.06
5jsdC-3rmgA:
20.06
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		3 TYR A 109
TYR A 173
GLN A 132
 None
IOD  A 941 (-4.9A)
None
 1.08A 5jsdB-3s1sA:
undetectable
5jsdC-3s1sA:
undetectable		 5jsdB-3s1sA:
20.95
5jsdC-3s1sA:
20.95
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.
3sks PUTATIVE
OLIGOENDOPEPTIDASE F

(Bacillus
anthracis) 		no annotation 3 TYR A 196
TYR A 487
GLN A 431
 None
 0.99A 5jsdB-3sksA:
undetectable
5jsdC-3sksA:
undetectable		 5jsdB-3sksA:
21.50
5jsdC-3sksA:
21.50
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		3 TYR A1551
TYR A1277
GLN A1247
 None
 0.83A 5jsdB-3topA:
undetectable
5jsdC-3topA:
0.9		 5jsdB-3topA:
21.11
5jsdC-3topA:
21.11
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.
3vm7 ALPHA-AMYLASE

(Malbranchea
cinnamomea) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		3 TYR A  72
TYR A 354
GLN A 352
 None
 0.98A 5jsdB-3vm7A:
undetectable
5jsdC-3vm7A:
undetectable		 5jsdB-3vm7A:
20.27
5jsdC-3vm7A:
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.
3win HA3

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		3 TYR E 457
TYR E 616
GLN E 529
 None
 1.11A 5jsdB-3winE:
3.0
5jsdC-3winE:
2.9		 5jsdB-3winE:
20.63
5jsdC-3winE:
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.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		3 TYR A 243
TYR A 255
GLN A 263
 None
 1.17A 5jsdB-3wnpA:
undetectable
5jsdC-3wnpA:
undetectable		 5jsdB-3wnpA:
24.72
5jsdC-3wnpA:
24.72
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.
3zzu ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		3 TYR A 186
TYR A  33
GLN A 268
 None
 1.03A 5jsdB-3zzuA:
undetectable
5jsdC-3zzuA:
undetectable		 5jsdB-3zzuA:
21.95
5jsdC-3zzuA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		3 TYR A1848
TYR A2064
GLN A2065
 None
 0.91A 5jsdB-4asiA:
undetectable
5jsdC-4asiA:
undetectable		 5jsdB-4asiA:
21.68
5jsdC-4asiA:
21.68
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.
4giz PROTEIN E6

(Alphapapillomavirus
9) 		PF00518
(E6) 		3 TYR C  81
TYR C  92
GLN C  91
 None
 0.88A 5jsdB-4gizC:
undetectable
5jsdC-4gizC:
undetectable		 5jsdB-4gizC:
10.15
5jsdC-4gizC:
10.15
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.
4gk9 AGGLUTININ (BOA)

(Burkholderia
oklahomensis) 		no annotation 3 TYR A  79
TYR A 128
GLN A 107
 None
 1.11A 5jsdB-4gk9A:
undetectable
5jsdC-4gk9A:
undetectable		 5jsdB-4gk9A:
16.90
5jsdC-4gk9A:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4huc PROBABLE CONSERVED
LIPOPROTEIN LPPS

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		3 TYR A 308
TYR A 298
GLN A 327
 None
 0.84A 5jsdB-4hucA:
2.7
5jsdC-4hucA:
2.6		 5jsdB-4hucA:
18.07
5jsdC-4hucA:
18.07
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.
4iia RAS
GTPASE-ACTIVATING
PROTEIN-BINDING
PROTEIN 1

(Homo sapiens) 		PF02136
(NTF2) 		3 TYR A  20
TYR A  40
GLN A 110
 None
 1.12A 5jsdB-4iiaA:
undetectable
5jsdC-4iiaA:
undetectable		 5jsdB-4iiaA:
11.75
5jsdC-4iiaA:
11.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ikv DI-TRIPEPTIDE ABC
TRANSPORTER
(PERMEASE)

(Geobacillus
kaustophilus) 		PF00854
(PTR2) 		3 TYR A 406
TYR A  48
GLN A 339
 None
 0.91A 5jsdB-4ikvA:
undetectable
5jsdC-4ikvA:
undetectable		 5jsdB-4ikvA:
23.75
5jsdC-4ikvA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		3 TYR A 349
TYR A 195
GLN A 186
 OPE  A 502 (-4.7A)
OPE  A 502 (-3.9A)
OPE  A 502 (-4.0A)
 0.88A 5jsdB-4ineA:
undetectable
5jsdC-4ineA:
undetectable		 5jsdB-4ineA:
22.22
5jsdC-4ineA:
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		3 TYR A 345
TYR A 191
GLN A 182
 1SH  A 702 (-4.8A)
1SH  A 702 (-4.1A)
1SH  A 702 (-4.0A)
 0.92A 5jsdB-4kriA:
undetectable
5jsdC-4kriA:
undetectable		 5jsdB-4kriA:
20.78
5jsdC-4kriA:
20.78
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 TYR B 238
TYR B 100
GLN B 134
 None
 1.02A 5jsdB-4l37B:
undetectable
5jsdC-4l37B:
undetectable		 5jsdB-4l37B:
22.41
5jsdC-4l37B:
22.41
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 TYR A 235
TYR A  97
GLN A 131
 None
 1.05A 5jsdB-4l37A:
undetectable
5jsdC-4l37A:
undetectable		 5jsdB-4l37A:
20.97
5jsdC-4l37A:
20.97
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		3 TYR A 178
TYR A  24
GLN A  15
 PO4  A 302 (-4.6A)
PO4  A 302 (-4.6A)
PO4  A 302 (-4.0A)
 1.07A 5jsdB-4mwzA:
undetectable
5jsdC-4mwzA:
undetectable		 5jsdB-4mwzA:
17.10
5jsdC-4mwzA:
17.10
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.
4qc6 BIFUNCTIONAL AAC/APH

(Staphylococcus
warneri) 		PF13523
(Acetyltransf_8) 		3 TYR A  34
TYR A  76
GLN A  74
 KAN  A 201 ( 3.6A)
None
KAN  A 201 (-3.1A)
 0.92A 5jsdB-4qc6A:
undetectable
5jsdC-4qc6A:
undetectable		 5jsdB-4qc6A:
12.33
5jsdC-4qc6A:
12.33
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.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 3 TYR H 966
TYR H 986
GLN H 987
 None
 1.14A 5jsdB-4qslH:
1.5
5jsdC-4qslH:
undetectable		 5jsdB-4qslH:
21.43
5jsdC-4qslH:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		3 TYR B 159
TYR B  22
GLN B  32
 EDO  B 302 (-4.3A)
SAM  B 301 (-4.6A)
SAM  B 301 (-3.7A)
 1.16A 5jsdB-4qtuB:
undetectable
5jsdC-4qtuB:
undetectable		 5jsdB-4qtuB:
13.96
5jsdC-4qtuB:
13.96
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.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		3 TYR A 181
TYR A  27
GLN A  18
 PC  A 301 (-4.7A)
PC  A 301 (-4.0A)
PC  A 301 (-4.2A)
 0.93A 5jsdB-4r6wA:
undetectable
5jsdC-4r6wA:
undetectable		 5jsdB-4r6wA:
15.28
5jsdC-4r6wA:
15.28
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.
4uop LIPOTEICHOIC ACID
PRIMASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		3 TYR A 453
TYR A 386
GLN A 388
 None
 0.93A 5jsdB-4uopA:
undetectable
5jsdC-4uopA:
undetectable		 5jsdB-4uopA:
20.41
5jsdC-4uopA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w97 HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR KSTR2

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		3 TYR A 158
TYR A  73
GLN A 131
 None
None
UCA  A 301 (-3.9A)
 1.08A 5jsdB-4w97A:
undetectable
5jsdC-4w97A:
undetectable		 5jsdB-4w97A:
15.40
5jsdC-4w97A:
15.40
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.
4wd2 AROMATIC-AMINO-ACID
TRANSAMINASE TYRB

(Burkholderia
cenocepacia) 		PF00155
(Aminotran_1_2) 		3 TYR A 150
TYR A 341
GLN A 344
 None
 1.12A 5jsdB-4wd2A:
undetectable
5jsdC-4wd2A:
undetectable		 5jsdB-4wd2A:
21.45
5jsdC-4wd2A:
21.45
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.
4y7i MYOTUBULARIN-RELATED
PROTEIN 8

(Homo sapiens) 		PF06602
(Myotub-related) 		3 TYR A 453
TYR A 155
GLN A 444
 None
 1.13A 5jsdB-4y7iA:
undetectable
5jsdC-4y7iA:
undetectable		 5jsdB-4y7iA:
18.85
5jsdC-4y7iA:
18.85
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.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		3 TYR A 691
TYR A 120
GLN A 122
 None
 1.14A 5jsdB-4yw5A:
undetectable
5jsdC-4yw5A:
undetectable		 5jsdB-4yw5A:
24.12
5jsdC-4yw5A:
24.12
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.
4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2

(Homo sapiens) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		3 TYR A 706
TYR A 741
GLN A 755
 None
 0.93A 5jsdB-4zg7A:
undetectable
5jsdC-4zg7A:
0.7		 5jsdB-4zg7A:
20.74
5jsdC-4zg7A:
20.74
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.
4zgz ANTIZYME INHIBITOR 1
ORNITHINE
DECARBOXYLASE
ANTIZYME 1

(Homo sapiens) 		PF00278
(Orn_DAP_Arg_deC)
PF02100
(ODC_AZ)
PF02784
(Orn_Arg_deC_N) 		3 TYR B 216
TYR A 110
GLN A 119
 None
 1.13A 5jsdB-4zgzB:
undetectable
5jsdC-4zgzB:
undetectable		 5jsdB-4zgzB:
10.53
5jsdC-4zgzB:
10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aiw TRAH

(Enterococcus
faecalis) 		no annotation 3 TYR A 111
TYR A  77
GLN A 119
 None
 1.08A 5jsdB-5aiwA:
undetectable
5jsdC-5aiwA:
undetectable		 5jsdB-5aiwA:
11.34
5jsdC-5aiwA:
11.34
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.
5c16 MYOTUBULARIN-RELATED
PROTEIN 1

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		3 TYR A 460
TYR A 236
GLN A 239
 None
 0.96A 5jsdB-5c16A:
undetectable
5jsdC-5c16A:
undetectable		 5jsdB-5c16A:
21.98
5jsdC-5c16A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		3 TYR A 404
TYR A 455
GLN A 454
 None
PEG  A 704 (-3.8A)
None
 0.94A 5jsdB-5cxwA:
undetectable
5jsdC-5cxwA:
undetectable		 5jsdB-5cxwA:
21.22
5jsdC-5cxwA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5de0 DEFERROCHELATASE

(Vibrio cholerae) 		PF04261
(Dyp_perox) 		3 TYR A 264
TYR A 285
GLN A 174
 None
None
HEM  A 401 (-4.3A)
 1.11A 5jsdB-5de0A:
undetectable
5jsdC-5de0A:
undetectable		 5jsdB-5de0A:
18.25
5jsdC-5de0A:
18.25
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.
5drv RAS
GTPASE-ACTIVATING
PROTEIN-BINDING
PROTEIN 2

(Homo sapiens) 		PF02136
(NTF2) 		3 TYR A  20
TYR A  40
GLN A 110
 None
 1.13A 5jsdB-5drvA:
undetectable
5jsdC-5drvA:
undetectable		 5jsdB-5drvA:
10.89
5jsdC-5drvA:
10.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		3 TYR A 209
TYR A  20
GLN A 113
 None
 0.98A 5jsdB-5dtrA:
undetectable
5jsdC-5dtrA:
undetectable		 5jsdB-5dtrA:
18.58
5jsdC-5dtrA:
18.58
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		3 TYR A 694
TYR A 729
GLN A 743
 None
 0.91A 5jsdB-5gz4A:
undetectable
5jsdC-5gz4A:
0.4		 5jsdB-5gz4A:
22.43
5jsdC-5gz4A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h5z MHC CLASS I ANTIGEN

(Ctenopharyngodon
idella) 		no annotation 3 TYR A   8
TYR A  58
GLN A  62
 None
 1.11A 5jsdB-5h5zA:
undetectable
5jsdC-5h5zA:
undetectable		 5jsdB-5h5zA:
8.25
5jsdC-5h5zA:
8.25
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		3 TYR A  96
TYR A 260
GLN A 298
 GAL  A4001 (-4.8A)
GAL  A4001 ( 4.6A)
GAL  A4001 (-2.9A)
 1.14A 5jsdB-5ihrA:
undetectable
5jsdC-5ihrA:
undetectable		 5jsdB-5ihrA:
22.19
5jsdC-5ihrA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		3 TYR A 260
TYR A  96
GLN A 298
 GAL  A4001 ( 4.6A)
GAL  A4001 (-4.8A)
GAL  A4001 (-2.9A)
 1.10A 5jsdB-5ihrA:
undetectable
5jsdC-5ihrA:
undetectable		 5jsdB-5ihrA:
22.19
5jsdC-5ihrA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ir3 IG LAMBDA CHAIN V-VI
REGION AR

(Homo sapiens) 		PF07686
(V-set) 		3 TYR A  94
TYR A  37
GLN A  35
 ACT  A 201 (-4.2A)
None
None
 1.06A 5jsdB-5ir3A:
undetectable
5jsdC-5ir3A:
1.2		 5jsdB-5ir3A:
11.45
5jsdC-5ir3A:
11.45
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.
5iva LPS-ASSEMBLY
LIPOPROTEIN LPTE
LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04390
(LptE)
PF04453
(OstA_C) 		3 TYR A 171
TYR B 108
GLN B  65
 None
 1.02A 5jsdB-5ivaA:
undetectable
5jsdC-5ivaA:
undetectable		 5jsdB-5ivaA:
20.40
5jsdC-5ivaA:
20.40
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.
5j5u RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12771
(SusD-like_2) 		3 TYR A 288
TYR A 382
GLN A 427
 None
 1.05A 5jsdB-5j5uA:
undetectable
5jsdC-5j5uA:
undetectable		 5jsdB-5j5uA:
21.98
5jsdC-5j5uA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jqe SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,CASPASE-8
CHIMERA

(Escherichia
coli) 		PF01335
(DED)
PF13416
(SBP_bac_8) 		3 TYR A1008
TYR A 111
GLN A  84
 None
 1.10A 5jsdB-5jqeA:
undetectable
5jsdC-5jqeA:
undetectable		 5jsdB-5jqeA:
21.45
5jsdC-5jqeA:
21.45
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.
5k69 L,D-TRANSPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		3 TYR A 308
TYR A 298
GLN A 327
 None
 0.85A 5jsdB-5k69A:
2.9
5jsdC-5k69A:
undetectable		 5jsdB-5k69A:
22.80
5jsdC-5k69A:
22.80
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.
5ku1 MITOCHONDRIAL RHO
GTPASE 1

(Homo sapiens) 		PF08355
(EF_assoc_1)
PF08356
(EF_assoc_2) 		3 TYR A 470
TYR A 359
GLN A 360
 None
 0.93A 5jsdB-5ku1A:
undetectable
5jsdC-5ku1A:
undetectable		 5jsdB-5ku1A:
19.53
5jsdC-5ku1A:
19.53
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.
5mz9 -

(-) 		no annotation 3 TYR A 439
TYR A 544
GLN A 574
 None
 1.16A 5jsdB-5mz9A:
undetectable
5jsdC-5mz9A:
undetectable		 5jsdB-5mz9A:
undetectable
5jsdC-5mz9A:
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.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 3 TYR A 310
TYR A 262
GLN A 277
 None
 1.16A 5jsdB-5n4cA:
0.4
5jsdC-5n4cA:
0.8		 5jsdB-5n4cA:
23.31
5jsdC-5n4cA:
23.31
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.
5n6u BETA-MANNOSIDASE

(Dictyoglomus
thermophilum) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		3 TYR A 783
TYR A 705
GLN A 707
 None
 1.09A 5jsdB-5n6uA:
undetectable
5jsdC-5n6uA:
undetectable		 5jsdB-5n6uA:
24.47
5jsdC-5n6uA:
24.47
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 3 TYR A 888
TYR B 499
GLN B 500
 None
 1.00A 5jsdB-5nd1A:
undetectable
5jsdC-5nd1A:
undetectable		 5jsdB-5nd1A:
7.50
5jsdC-5nd1A:
7.50
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.
5net O1 MANISA VP3

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		3 TYR 3 125
TYR 3 101
GLN 3 181
 None
 0.89A 5jsdB-5net3:
1.2
5jsdC-5net3:
undetectable		 5jsdB-5net3:
15.53
5jsdC-5net3:
15.53
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.
5oev GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 22
(GPA-GSS22-APO)

(Globodera
pallida) 		no annotation 3 TYR A  80
TYR A 132
GLN A 150
 None
 1.05A 5jsdB-5oevA:
undetectable
5jsdC-5oevA:
undetectable		 5jsdB-5oevA:
7.37
5jsdC-5oevA:
7.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u8q INSULIN-LIKE GROWTH
FACTOR 1 RECEPTOR

(Homo sapiens) 		no annotation 3 TYR A 745
TYR A 628
GLN A 623
 None
 1.06A 5jsdB-5u8qA:
0.7
5jsdC-5u8qA:
1.8		 5jsdB-5u8qA:
9.15
5jsdC-5u8qA:
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.
5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Haemophilus
influenzae) 		PF02219
(MTHFR) 		3 TYR A 273
TYR A 150
GLN A 181
 ACY  A 302 ( 4.0A)
FAD  A 300 (-4.3A)
ACY  A 302 ( 3.9A)
 0.92A 5jsdB-5umeA:
undetectable
5jsdC-5umeA:
undetectable		 5jsdB-5umeA:
17.35
5jsdC-5umeA:
17.35
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.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 3 TYR A 622
TYR A 597
GLN A 585
 None
 0.98A 5jsdB-5vanA:
undetectable
5jsdC-5vanA:
undetectable		 5jsdB-5vanA:
8.40
5jsdC-5vanA:
8.40
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.
5wa0 PUTATIVE SULFITE
OXIDASE

(Sinorhizobium
meliloti) 		no annotation 3 TYR A 267
TYR A  76
GLN A  78
 MSS  A 401 (-4.7A)
MSS  A 401 (-3.3A)
MSS  A 401 (-3.5A)
 0.74A 5jsdB-5wa0A:
undetectable
5jsdC-5wa0A:
undetectable		 5jsdB-5wa0A:
17.77
5jsdC-5wa0A:
17.77
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.
5wdr RAS PROTEIN

(Choanoflagellida) 		PF00071
(Ras) 		3 TYR A  32
TYR A  64
GLN A  61
 GNP  A 203 (-3.2A)
None
GNP  A 203 ( 4.5A)
 1.17A 5jsdB-5wdrA:
undetectable
5jsdC-5wdrA:
undetectable		 5jsdB-5wdrA:
13.22
5jsdC-5wdrA:
13.22
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 3 TYR A 406
TYR A 254
GLN A 245
 PC  A 702 (-4.7A)
PC  A 702 (-4.0A)
PC  A 702 (-4.1A)
 0.88A 5jsdB-5wp4A:
undetectable
5jsdC-5wp4A:
undetectable		 5jsdB-5wp4A:
19.97
5jsdC-5wp4A:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yq7 CYTOCHROME SUBUNIT
OF PHOTOSYNTHETIC
REACTION CENTER
PRECURSOR FOR L
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER
PRECURSOR FOR M
SUBUNITS OF
PHOTOSYNTHETIC
REACTION CENTER

(Roseiflexus
castenholzii) 		no annotation 3 TYR L 204
TYR M 511
GLN C 226
 HEM  C 503 (-4.4A)
None
HEM  C 503 ( 3.8A)
 1.06A 5jsdB-5yq7L:
undetectable
5jsdC-5yq7L:
undetectable		 5jsdB-5yq7L:
8.90
5jsdC-5yq7L:
8.90
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.
5zu5 ALGINATE LYASE

(Vibrio
splendidus) 		no annotation 3 TYR A 263
TYR A 477
GLN A 479
 None
 1.06A 5jsdB-5zu5A:
3.6
5jsdC-5zu5A:
1.6		 5jsdB-5zu5A:
7.54
5jsdC-5zu5A:
7.54
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.
6bff AMINOGLYCOSIDE
ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 3 TYR A  33
TYR A  75
GLN A  73
 None
 1.06A 5jsdB-6bffA:
undetectable
5jsdC-6bffA:
undetectable		 5jsdB-6bffA:
12.75
5jsdC-6bffA:
12.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE

(Homo sapiens) 		no annotation 3 TYR A 321
TYR A 197
GLN A 228
 None
FAD  A 701 (-4.4A)
FAD  A 701 ( 4.5A)
 0.98A 5jsdB-6fcxA:
undetectable
5jsdC-6fcxA:
undetectable		 5jsdB-6fcxA:
7.39
5jsdC-6fcxA:
7.39
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.
6fnu METHYLENETETRAHYDROF
OLATE REDUCTASE 1

(Saccharomyces
cerevisiae) 		no annotation 3 TYR A 286
TYR A 152
GLN A 189
 None
FAD  A 701 (-4.3A)
FAD  A 701 (-4.9A)
 1.10A 5jsdB-6fnuA:
undetectable
5jsdC-6fnuA:
undetectable		 5jsdB-6fnuA:
7.77
5jsdC-6fnuA:
7.77
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.
6gnf -

(-) 		no annotation 3 TYR A 165
TYR A  71
GLN A  58
 None
 1.03A 5jsdB-6gnfA:
undetectable
5jsdC-6gnfA:
undetectable		 5jsdB-6gnfA:
undetectable
5jsdC-6gnfA:
undetectable