SIMILAR PATTERNS OF AMINO ACIDS FOR 3F8W_C_ADNC302

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.
1bg4 ENDO-1,4-BETA-XYLANA
SE

(Penicillium
simplicissimum) 		PF00331
(Glyco_hydro_10) 		5 SER A 228
ALA A 225
GLY A 181
ASN A 186
VAL A 189
 GOL  A 626 (-3.4A)
None
None
None
None
 1.14A 3f8wC-1bg4A:
undetectable		 3f8wC-1bg4A:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c3x PENTOSYLTRANSFERASE

(Cellulomonas
sp.) 		PF01048
(PNP_UDP_1) 		5 HIS A 154
TYR A 175
ALA A 230
GLY A 235
VAL A 119
 None
 1.20A 3f8wC-1c3xA:
30.9		 3f8wC-1c3xA:
33.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c3x PENTOSYLTRANSFERASE

(Cellulomonas
sp.) 		PF01048
(PNP_UDP_1) 		9 SER A  46
HIS A 105
TYR A 107
GLY A 137
TYR A 203
GLU A 204
VAL A 220
GLY A 221
MET A 222
 PO4  A 303 (-3.9A)
PO4  A 303 (-4.2A)
None
8IG  A 306 (-3.3A)
8IG  A 306 (-4.4A)
8IG  A 306 (-2.8A)
8IG  A 306 (-4.6A)
8IG  A 306 (-3.4A)
8IG  A 306 (-4.0A)
 0.70A 3f8wC-1c3xA:
30.9		 3f8wC-1c3xA:
33.68
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.
1dt2 EXFOLIATIVE TOXIN B

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		5 ALA A  50
GLY A 187
GLY A  52
ASN A  63
VAL A  66
 None
 1.20A 3f8wC-1dt2A:
undetectable		 3f8wC-1dt2A:
22.15
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.
1f89 32.5 KDA PROTEIN
YLR351C

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		5 HIS A 130
ALA A 178
GLY A 165
VAL A 166
GLY A 167
 None
 1.18A 3f8wC-1f89A:
undetectable		 3f8wC-1f89A:
23.88
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.
1i2m REGULATOR OF
CHROMOSOME
CONDENSATION 1

(Homo sapiens) 		PF00415
(RCC1) 		5 SER B 349
ALA B 351
GLY B 353
VAL B 356
GLY B 357
 None
 1.19A 3f8wC-1i2mB:
undetectable		 3f8wC-1i2mB:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iyn CHLOROPLASTIC
ASCORBATE PEROXIDASE

(Nicotiana
tabacum) 		PF00141
(peroxidase) 		5 SER A  97
HIS A 255
TYR A 251
ALA A 100
GLY A 106
 None
 1.12A 3f8wC-1iynA:
undetectable		 3f8wC-1iynA:
20.54
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.
1pvd PYRUVATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 SER A 103
GLY A 166
GLU A  78
VAL A  99
GLY A 100
 None
 1.07A 3f8wC-1pvdA:
undetectable		 3f8wC-1pvdA:
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 535
GLU A 496
VAL A 532
GLY A 531
VAL A 594
 None
 1.12A 3f8wC-1r9jA:
undetectable		 3f8wC-1r9jA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v4n 271AA LONG
HYPOTHETICAL
5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfurisphaera
tokodaii) 		PF01048
(PNP_UDP_1) 		5 ALA A  93
GLY A  95
GLY A 190
MET A 191
VAL A 229
 None
 0.34A 3f8wC-1v4nA:
26.5		 3f8wC-1v4nA:
26.95
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.
1v4n 271AA LONG
HYPOTHETICAL
5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfurisphaera
tokodaii) 		PF01048
(PNP_UDP_1) 		5 HIS A  60
ALA A  93
GLY A  95
GLY A 190
VAL A 229
 None
 0.99A 3f8wC-1v4nA:
26.5		 3f8wC-1v4nA:
26.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vfn PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		10 SER A  33
HIS A  86
TYR A  88
ALA A 116
GLY A 118
GLU A 201
VAL A 217
GLY A 218
MET A 219
ASN A 243
 None
None
None
HPA  A 300 ( 4.5A)
HPA  A 300 (-3.6A)
HPA  A 300 ( 2.8A)
HPA  A 300 (-4.5A)
HPA  A 300 (-3.6A)
HPA  A 300 (-4.4A)
HPA  A 300 ( 2.9A)
 0.45A 3f8wC-1vfnA:
41.0		 3f8wC-1vfnA:
48.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		10 HIS A  81
TYR A  83
ALA A 111
GLY A 113
TYR A 185
GLU A 186
VAL A 202
GLY A 203
MET A 204
ASN A 228
 None
None
GUN  A 300 (-4.0A)
GUN  A 300 (-3.5A)
GUN  A 300 (-4.6A)
GUN  A 300 (-2.7A)
GUN  A 300 (-4.2A)
GUN  A 300 (-3.4A)
GUN  A 300 (-4.3A)
GUN  A 300 (-3.3A)
 0.42A 3f8wC-1vmkA:
33.4		 3f8wC-1vmkA:
39.06
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		5 ALA A 249
TYR A 553
VAL A 133
GLY A 134
VAL A 383
 NAD  A1002 (-2.6A)
NAD  A1002 (-4.2A)
None
NAD  A1002 (-3.0A)
None
 1.19A 3f8wC-1vrqA:
undetectable		 3f8wC-1vrqA:
15.41
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.
1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Aeropyrum
pernix) 		PF01048
(PNP_UDP_1) 		5 ALA A  96
GLY A  98
GLY A 194
MET A 195
VAL A 233
 PO4  A 400 (-3.7A)
ADE  A1300 (-3.5A)
ADE  A1300 (-3.5A)
ADE  A1300 (-4.4A)
ADE  A1300 ( 4.7A)
 0.36A 3f8wC-1wtaA:
26.3		 3f8wC-1wtaA:
26.69
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.
1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Aeropyrum
pernix) 		PF01048
(PNP_UDP_1) 		5 HIS A  63
ALA A  96
GLY A  98
GLY A 194
VAL A 233
 PO4  A 400 (-3.8A)
PO4  A 400 (-3.7A)
ADE  A1300 (-3.5A)
ADE  A1300 (-3.5A)
ADE  A1300 ( 4.7A)
 1.08A 3f8wC-1wtaA:
26.3		 3f8wC-1wtaA:
26.69
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.
1wve 4-CRESOL
DEHYDROGENASE
[HYDROXYLATING]
FLAVOPROTEIN SUBUNIT

(Pseudomonas
putida) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 SER A 153
HIS A 178
ALA A 159
GLY A  90
GLY A 163
 FAD  A 599 (-2.9A)
None
FAD  A 599 (-3.1A)
FAD  A 599 (-3.2A)
FAD  A 599 (-3.2A)
 1.06A 3f8wC-1wveA:
undetectable		 3f8wC-1wveA:
20.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		10 SER A  34
HIS A  87
TYR A  89
ALA A 117
GLY A 119
GLU A 197
VAL A 213
GLY A 214
MET A 215
ASN A 239
 PO4  A 500 (-3.3A)
PO4  A 500 (-3.8A)
None
PO4  A 500 ( 3.9A)
GUN  A 400 (-3.5A)
GUN  A 400 (-2.8A)
GUN  A 400 ( 4.7A)
GUN  A 400 (-3.5A)
GUN  A 400 (-4.1A)
GUN  A 400 (-3.2A)
 0.49A 3f8wC-1yqqA:
37.0		 3f8wC-1yqqA:
42.07
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.
2d0w CYTOCHROME CL

(Hyphomicrobium
denitrificans) 		PF13442
(Cytochrome_CBB3) 		5 ALA A  99
GLY A  97
GLY A 104
ASN A   7
VAL A   9
 HEM  A 200 (-3.1A)
None
None
None
None
 1.11A 3f8wC-2d0wA:
undetectable		 3f8wC-2d0wA:
23.37
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.
2dkh 3-HYDROXYBENZOATE
HYDROXYLASE

(Comamonas
testosteroni) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 HIS A 144
ALA A  43
GLY A 205
VAL A  38
GLY A  39
 None
FAD  A 640 (-3.0A)
None
None
FAD  A 640 (-3.3A)
 1.05A 3f8wC-2dkhA:
undetectable		 3f8wC-2dkhA:
19.34
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.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		5 SER A  88
ALA A  84
GLY A  82
GLY A 168
VAL A 193
 None
 1.02A 3f8wC-2ek8A:
6.6		 3f8wC-2ek8A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hal HEPATITIS A PROTEASE
3C

(Hepatovirus A) 		PF00548
(Peptidase_C3) 		5 HIS A 191
ALA A 160
VAL A 204
GLY A 189
VAL A 157
 None
 1.12A 3f8wC-2halA:
undetectable		 3f8wC-2halA:
21.35
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.
2k49 UPF0339 PROTEIN
SO_3888

(Shewanella
oneidensis) 		PF07411
(DUF1508) 		5 SER A  96
TYR A  84
ALA A  21
GLY A  24
ASN A  23
 None
 1.20A 3f8wC-2k49A:
undetectable		 3f8wC-2k49A:
15.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p4s PURINE NUCLEOSIDE
PHOSPHORYLASE

(Anopheles
gambiae) 		PF01048
(PNP_UDP_1) 		9 SER A 118
HIS A 171
TYR A 173
ALA A 201
GLY A 203
GLU A 286
GLY A 303
MET A 304
ASN A 328
 PO4  A 503 (-2.8A)
DIH  A 401 ( 4.0A)
DIH  A 401 (-4.7A)
PO4  A 503 ( 3.8A)
DIH  A 401 (-3.4A)
DIH  A 401 (-2.8A)
DIH  A 401 (-3.4A)
DIH  A 401 (-3.5A)
DIH  A 401 (-3.1A)
 0.36A 3f8wC-2p4sA:
41.3		 3f8wC-2p4sA:
35.66
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.
2qs9 RETINOBLASTOMA-BINDI
NG PROTEIN 9

(Homo sapiens) 		PF06821
(Ser_hydrolase) 		5 SER A 111
TYR A  99
ALA A  50
GLY A  14
GLY A  12
 None
 1.08A 3f8wC-2qs9A:
undetectable		 3f8wC-2qs9A:
20.83
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.
2voy CATION-TRANSPORTING
ATPASE
POTENTIAL
COPPER-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus;
Bacillus
subtilis) 		PF00403
(HMA)
PF00702
(Hydrolase) 		5 ALA J 489
GLY A  11
GLU J 457
VAL J 493
GLY J 492
 None
 0.91A 3f8wC-2voyJ:
undetectable		 3f8wC-2voyJ:
18.82
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.
2vvt GLUTAMATE RACEMASE

(Enterococcus
faecalis) 		PF01177
(Asp_Glu_race) 		5 ALA A  73
GLU A 215
VAL A  94
GLY A  95
VAL A  19
 None
 0.98A 3f8wC-2vvtA:
undetectable		 3f8wC-2vvtA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A 386
GLY A 454
GLY A 384
MET A 383
VAL A 392
 None
 1.00A 3f8wC-2wd9A:
undetectable		 3f8wC-2wd9A:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  73
VAL A  72
GLY A 100
ASN A  75
VAL A 155
 None
None
None
DIF  A1373 (-4.1A)
DIF  A1373 (-4.4A)
 1.19A 3f8wC-2wekA:
undetectable		 3f8wC-2wekA:
23.68
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.
3bba INTERPAIN A

(Prevotella
intermedia) 		PF01640
(Peptidase_C10) 		5 ALA A 306
GLY A 304
VAL A 294
GLY A 293
VAL A 155
 None
 1.13A 3f8wC-3bbaA:
undetectable		 3f8wC-3bbaA:
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.
3cty THIOREDOXIN
REDUCTASE

(Thermoplasma
acidophilum) 		PF07992
(Pyr_redox_2) 		5 HIS A 126
GLY A 287
TYR A 269
GLY A 123
ASN A 293
 None
FAD  A1000 (-3.2A)
None
FAD  A1000 (-3.4A)
None
 1.19A 3f8wC-3ctyA:
undetectable		 3f8wC-3ctyA:
20.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e9z PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		11 HIS A  88
TYR A  90
ALA A 118
GLY A 120
TYR A 202
GLU A 203
VAL A 219
GLY A 220
MET A 221
ASN A 245
VAL A 262
 SO4  A 291 (-3.9A)
None
6GU  A 704 ( 3.5A)
6GU  A 704 (-2.9A)
6GU  A 704 (-4.8A)
6GU  A 704 (-2.4A)
6GU  A 704 ( 4.3A)
6GU  A 704 (-3.4A)
6GU  A 704 (-3.7A)
6GU  A 704 (-2.7A)
6GU  A 704 ( 4.3A)
 0.33A 3f8wC-3e9zA:
46.3		 3f8wC-3e9zA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e9z PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		8 SER A  35
ALA A 118
GLY A 120
GLU A 203
VAL A 219
GLY A 220
ASN A 245
VAL A 262
 None
6GU  A 704 ( 3.5A)
6GU  A 704 (-2.9A)
6GU  A 704 (-2.4A)
6GU  A 704 ( 4.3A)
6GU  A 704 (-3.4A)
6GU  A 704 (-2.7A)
6GU  A 704 ( 4.3A)
 1.46A 3f8wC-3e9zA:
46.3		 3f8wC-3e9zA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eh7 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 TYR A 182
ALA A  34
GLY A 273
GLU A 275
VAL A 137
 None
 1.12A 3f8wC-3eh7A:
undetectable		 3f8wC-3eh7A:
21.90
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.
3erv PUTATIVE C39-LIKE
PEPTIDASE

(Bacillus
anthracis) 		PF13529
(Peptidase_C39_2) 		5 HIS A 131
GLY A 109
TYR A 127
GLY A 114
VAL A 193
 None
 1.12A 3f8wC-3ervA:
undetectable		 3f8wC-3ervA:
22.15
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ALA A 286
GLY A 283
VAL A 282
GLY A 239
VAL A  58
 None
None
None
RIB  A 305 ( 4.5A)
None
 1.20A 3f8wC-3go7A:
undetectable		 3f8wC-3go7A:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum) 		PF06838
(Met_gamma_lyase) 		5 SER A 391
TYR A 220
ALA A 392
GLY A 402
TYR A 187
 None
LLP  A 243 ( 3.6A)
None
None
None
 1.12A 3f8wC-3hvyA:
undetectable		 3f8wC-3hvyA:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF01048
(PNP_UDP_1) 		5 HIS A 139
TYR A 160
ALA A 215
GLY A 220
VAL A 104
 None
 1.06A 3f8wC-3iomA:
33.5		 3f8wC-3iomA:
34.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF01048
(PNP_UDP_1) 		12 SER A  36
HIS A  90
TYR A  92
ALA A 120
GLY A 122
TYR A 188
GLU A 189
VAL A 205
GLY A 206
MET A 207
ASN A 231
VAL A 246
 SO4  A 301 ( 2.2A)
SO4  A 301 (-3.3A)
None
GNG  A 800 (-3.3A)
GNG  A 800 (-3.6A)
GNG  A 800 (-4.6A)
GNG  A 800 (-2.9A)
GNG  A 800 (-4.4A)
GNG  A 800 (-3.6A)
GNG  A 800 (-3.4A)
GNG  A 800 (-2.8A)
GNG  A 800 (-4.2A)
 0.49A 3f8wC-3iomA:
33.5		 3f8wC-3iomA:
34.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		10 SER A  30
HIS A  83
TYR A  85
ALA A 113
GLY A 115
GLU A 198
VAL A 214
GLY A 215
MET A 216
ASN A 240
 PO4  A 290 (-2.6A)
PO4  A 290 (-4.0A)
None
PO4  A 290 ( 4.0A)
None
None
None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
None
 0.62A 3f8wC-3khsA:
38.4		 3f8wC-3khsA:
46.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3la8 PUTATIVE PURINE
NUCLEOSIDE
PHOSPHORYLASE

(Streptococcus
mutans) 		PF01048
(PNP_UDP_1) 		8 HIS A  83
TYR A  85
ALA A 113
GLY A 115
TYR A 190
VAL A 207
GLY A 208
MET A 209
 SO4  A 270 (-3.9A)
None
SO4  A 270 (-3.7A)
None
None
None
None
None
 0.29A 3f8wC-3la8A:
34.2		 3f8wC-3la8A:
40.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3la8 PUTATIVE PURINE
NUCLEOSIDE
PHOSPHORYLASE

(Streptococcus
mutans) 		PF01048
(PNP_UDP_1) 		8 SER A  30
TYR A  85
ALA A 113
GLY A 115
TYR A 190
VAL A 207
GLY A 208
MET A 209
 SO4  A 270 (-4.4A)
None
SO4  A 270 (-3.7A)
None
None
None
None
None
 0.52A 3f8wC-3la8A:
34.2		 3f8wC-3la8A:
40.82
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.
3lft UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF04392
(ABC_sub_bind) 		5 ALA A 137
GLY A 292
VAL A 289
GLY A 288
VAL A 115
 None
 1.17A 3f8wC-3lftA:
undetectable		 3f8wC-3lftA:
23.35
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.
3o3m BETA SUBUNIT
2-HYDROXYACYL-COA
DEHYDRATASE

(Clostridioides
difficile) 		PF06050
(HGD-D) 		5 ALA B  30
GLY B  32
VAL B  93
GLY B  92
VAL B  19
 None
 0.81A 3f8wC-3o3mB:
undetectable		 3f8wC-3o3mB:
24.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3odg XANTHOSINE
PHOSPHORYLASE

(Yersinia
pseudotuberculosis) 		PF01048
(PNP_UDP_1) 		9 HIS A  95
TYR A  97
ALA A 125
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
 None
None
CL  A 289 ( 3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
 0.44A 3f8wC-3odgA:
37.3		 3f8wC-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3odg XANTHOSINE
PHOSPHORYLASE

(Yersinia
pseudotuberculosis) 		PF01048
(PNP_UDP_1) 		8 SER A  42
ALA A 125
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
 CL  A 289 (-3.9A)
CL  A 289 ( 3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
 0.60A 3f8wC-3odgA:
37.3		 3f8wC-3odgA:
41.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oix DIHYDROOROTATE
OXIDASE
PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		5 GLY A  47
VAL A 102
GLY A 103
MET A 104
ASN A  75
 MLY  A  45 ( 3.8A)
None
None
None
None
 0.99A 3f8wC-3oixA:
undetectable		 3f8wC-3oixA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		6 ALA A 100
GLU A 181
GLY A 198
MET A 199
ASN A 223
VAL A 222
 HPA  A 260 (-4.6A)
HPA  A 260 (-2.9A)
HPA  A 260 (-3.3A)
HPA  A 260 (-4.3A)
HPA  A 260 (-3.0A)
None
 1.37A 3f8wC-3ozbA:
25.1		 3f8wC-3ozbA:
24.66
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.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		7 ALA A 100
GLY A 102
GLU A 181
VAL A 197
GLY A 198
MET A 199
ASN A 223
 HPA  A 260 (-4.6A)
HPA  A 260 (-3.7A)
HPA  A 260 (-2.9A)
HPA  A 260 (-4.3A)
HPA  A 260 (-3.3A)
HPA  A 260 (-4.3A)
HPA  A 260 (-3.0A)
 0.44A 3f8wC-3ozbA:
25.1		 3f8wC-3ozbA:
24.66
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.
3pef 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING

(Geobacter
metallireducens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 SER A  95
TYR A  91
GLY A 165
VAL A 164
VAL A  97
 None
None
None
EDO  A 292 (-4.7A)
None
 1.16A 3f8wC-3pefA:
undetectable		 3f8wC-3pefA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvz UDP-N-ACETYLGLUCOSAM
INE 4,6-DEHYDRATASE

(Aliivibrio
fischeri) 		PF02719
(Polysacc_synt_2) 		5 SER A 203
GLY A 238
VAL A  48
GLY A  45
VAL A 200
 NAD  A 501 (-2.9A)
None
None
None
NAD  A 501 ( 3.8A)
 1.12A 3f8wC-3pvzA:
undetectable		 3f8wC-3pvzA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		5 SER A 319
ALA A 318
VAL A 245
GLY A 246
VAL A 323
 None
 1.18A 3f8wC-3qfhA:
undetectable		 3f8wC-3qfhA:
22.25
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.
3rfr PMOB

(Methylocystis
sp. M) 		PF04744
(Monooxygenase_B) 		6 SER A  71
HIS A  68
ALA A  72
GLY A 407
VAL A 387
GLY A 388
 None
 1.14A 3f8wC-3rfrA:
undetectable		 3f8wC-3rfrA:
22.02
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.
3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		5 HIS A  59
ALA A  92
GLY A  94
GLY A 189
VAL A 228
 SO4  A 902 ( 3.9A)
SO4  A 902 ( 3.8A)
MTA  A 901 (-3.6A)
MTA  A 901 (-3.5A)
MTA  A 901 ( 4.4A)
 1.06A 3f8wC-3t94A:
27.3		 3f8wC-3t94A:
27.92
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.
3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		6 SER A  16
ALA A  92
GLY A  94
GLY A 189
MET A 190
VAL A 228
 SO4  A 902 ( 2.6A)
SO4  A 902 ( 3.8A)
MTA  A 901 (-3.6A)
MTA  A 901 (-3.5A)
MTA  A 901 (-3.9A)
MTA  A 901 ( 4.4A)
 0.37A 3f8wC-3t94A:
27.3		 3f8wC-3t94A:
27.92
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.
3tdf DIHYDRODIPICOLINATE
SYNTHASE

(Acinetobacter
baumannii) 		PF00701
(DHDPS) 		5 SER A  49
ALA A  48
GLY A  76
TYR A 133
GLY A  78
 None
None
None
2KT  A 524 (-3.9A)
None
 1.09A 3f8wC-3tdfA:
undetectable		 3f8wC-3tdfA:
25.08
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.
4a35 MITOCHONDRIAL
ENOLASE SUPERFAMILY
MEMBER 1

(Homo sapiens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 418
ALA A 360
GLY A 362
VAL A 363
GLY A 364
 None
 1.18A 3f8wC-4a35A:
undetectable		 3f8wC-4a35A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eyu LYSINE-SPECIFIC
DEMETHYLASE 6B

(Mus musculus) 		PF02373
(JmjC) 		5 SER A1385
TYR A1280
ALA A1474
GLY A1406
ASN A1402
 None
 1.16A 3f8wC-4eyuA:
undetectable		 3f8wC-4eyuA:
21.63
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.
4gga CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 SER A 266
HIS A 293
GLY A 288
VAL A 312
GLY A 284
 None
 0.97A 3f8wC-4ggaA:
undetectable		 3f8wC-4ggaA:
22.72
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.
4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E

(Methylobacterium
extorquens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 107
ALA A 106
GLY A 103
GLY A  75
VAL A  71
 None
 1.12A 3f8wC-4gi2A:
undetectable		 3f8wC-4gi2A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus) 		PF02128
(Peptidase_M36) 		5 ALA A 297
GLY A 295
VAL A 380
MET A 406
ASN A 347
 None
 1.10A 3f8wC-4k90A:
undetectable		 3f8wC-4k90A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		5 HIS A  99
ALA A 183
GLY A 187
GLY A  53
VAL A 177
 None
 0.99A 3f8wC-4kpnA:
undetectable		 3f8wC-4kpnA:
22.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lna PURINE NUCLEOSIDE
PHOSPHORYLASE

(Spirosoma
linguale) 		PF01048
(PNP_UDP_1) 		8 HIS A  81
TYR A  83
ALA A 111
GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
 PO4  A 500 (-4.2A)
None
MPD  A 503 ( 4.0A)
ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
 0.32A 3f8wC-4lnaA:
39.2		 3f8wC-4lnaA:
43.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE

(Planctopirus
limnophila) 		PF01048
(PNP_UDP_1) 		8 HIS A  84
TYR A  86
ALA A 114
GLY A 116
GLU A 194
VAL A 210
GLY A 211
MET A 212
 SO4  A 400 (-3.9A)
None
SO4  A 400 ( 3.9A)
ADE  A 401 (-3.7A)
ADE  A 401 (-2.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-3.4A)
ADE  A 401 (-4.2A)
 0.35A 3f8wC-4m1eA:
39.5		 3f8wC-4m1eA:
43.00
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.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ALA A 458
GLY A 416
GLY A 408
ASN A 420
VAL A 384
 None
 1.14A 3f8wC-4mkvA:
undetectable		 3f8wC-4mkvA:
21.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ns1 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Porphyromonas
gingivalis) 		PF01048
(PNP_UDP_1) 		10 HIS A  99
TYR A 101
ALA A 129
GLY A 131
TYR A 207
GLU A 208
GLY A 225
MET A 226
ASN A 250
VAL A 266
 SO4  A 302 (-4.0A)
None
SO4  A 302 ( 3.4A)
DA  A 301 (-3.4A)
None
DA  A 301 (-2.7A)
DA  A 301 (-3.5A)
DA  A 301 (-4.0A)
DA  A 301 (-3.0A)
DA  A 301 ( 4.7A)
 0.36A 3f8wC-4ns1A:
38.7		 3f8wC-4ns1A:
45.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ns1 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Porphyromonas
gingivalis) 		PF01048
(PNP_UDP_1) 		9 SER A  46
ALA A 129
GLY A 131
TYR A 207
GLU A 208
GLY A 225
MET A 226
ASN A 250
VAL A 266
 SO4  A 302 (-2.7A)
SO4  A 302 ( 3.4A)
DA  A 301 (-3.4A)
None
DA  A 301 (-2.7A)
DA  A 301 (-3.5A)
DA  A 301 (-4.0A)
DA  A 301 (-3.0A)
DA  A 301 ( 4.7A)
 0.82A 3f8wC-4ns1A:
38.7		 3f8wC-4ns1A:
45.21
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 376
GLY A 256
VAL A 257
GLY A 258
VAL A 366
 None
 1.18A 3f8wC-4oqjA:
undetectable		 3f8wC-4oqjA:
16.77
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 SER A 180
ALA A 177
GLU A 104
GLY A  97
ASN A 197
 None
EDO  A 410 ( 3.6A)
None
None
None
 0.99A 3f8wC-4qa9A:
2.2		 3f8wC-4qa9A:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uc0 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Agrobacterium
vitis) 		PF01048
(PNP_UDP_1) 		9 HIS A  78
TYR A  80
ALA A 108
GLY A 110
GLU A 185
VAL A 201
GLY A 202
MET A 203
ASN A 227
 None
None
HPA  A 301 (-4.0A)
HPA  A 301 (-3.5A)
HPA  A 301 (-2.9A)
HPA  A 301 (-4.9A)
HPA  A 301 (-3.6A)
HPA  A 301 (-4.4A)
HPA  A 301 (-3.0A)
 0.40A 3f8wC-4uc0A:
33.5		 3f8wC-4uc0A:
35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uc0 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Agrobacterium
vitis) 		PF01048
(PNP_UDP_1) 		9 SER A  25
HIS A  78
ALA A 108
GLY A 110
GLU A 185
VAL A 201
GLY A 202
MET A 203
ASN A 227
 None
None
HPA  A 301 (-4.0A)
HPA  A 301 (-3.5A)
HPA  A 301 (-2.9A)
HPA  A 301 (-4.9A)
HPA  A 301 (-3.6A)
HPA  A 301 (-4.4A)
HPA  A 301 (-3.0A)
 0.61A 3f8wC-4uc0A:
33.5		 3f8wC-4uc0A:
35.86
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.
5b04 TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT ALPHA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 ALA A 244
GLY A 210
VAL A 148
GLY A 147
ASN A 222
 None
PO4  A 401 ( 4.0A)
None
PO4  A 401 (-3.7A)
None
 1.15A 3f8wC-5b04A:
undetectable		 3f8wC-5b04A:
22.25
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.
5f4z EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 SER A 181
ALA A 178
GLU A 105
GLY A  98
ASN A 198
 None
 0.96A 3f8wC-5f4zA:
2.2		 3f8wC-5f4zA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7o METHYLTHIOADENOSINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 ALA A  88
GLY A  90
VAL A 204
MET A 206
VAL A 246
 ADE  A 301 (-4.1A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
ADE  A 301 ( 4.7A)
 0.52A 3f8wC-5f7oA:
24.0		 3f8wC-5f7oA:
26.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ifk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Kluyveromyces
lactis) 		PF01048
(PNP_UDP_1) 		10 HIS A  98
TYR A 100
ALA A 129
GLY A 131
GLU A 214
VAL A 230
GLY A 231
MET A 232
ASN A 256
VAL A 284
 None
None
HPA  A 401 (-4.0A)
HPA  A 401 (-3.5A)
HPA  A 401 (-2.7A)
HPA  A 401 (-4.5A)
HPA  A 401 (-3.5A)
HPA  A 401 ( 4.3A)
HPA  A 401 (-2.9A)
HPA  A 401 ( 4.7A)
 0.35A 3f8wC-5ifkA:
38.9		 3f8wC-5ifkA:
42.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ifk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Kluyveromyces
lactis) 		PF01048
(PNP_UDP_1) 		9 SER A  42
ALA A 129
GLY A 131
GLU A 214
VAL A 230
GLY A 231
MET A 232
ASN A 256
VAL A 284
 None
HPA  A 401 (-4.0A)
HPA  A 401 (-3.5A)
HPA  A 401 (-2.7A)
HPA  A 401 (-4.5A)
HPA  A 401 (-3.5A)
HPA  A 401 ( 4.3A)
HPA  A 401 (-2.9A)
HPA  A 401 ( 4.7A)
 1.00A 3f8wC-5ifkA:
38.9		 3f8wC-5ifkA:
42.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 TYR A 415
ALA A 708
GLY A 661
GLY A 710
ASN A 693
 None
 1.15A 3f8wC-5jouA:
undetectable		 3f8wC-5jouA:
14.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		7 GLY A 120
TYR A 202
VAL A 219
GLY A 220
MET A 221
ASN A 245
VAL A 262
 CYT  A 301 (-3.3A)
CYT  A 301 (-4.6A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
CYT  A 301 (-3.2A)
None
 0.64A 3f8wC-5ko5A:
44.1		 3f8wC-5ko5A:
62.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		9 SER A  35
HIS A  88
TYR A  90
GLY A 120
TYR A 202
VAL A 219
GLY A 220
MET A 221
VAL A 262
 EDO  A 302 (-3.6A)
EDO  A 302 (-4.5A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.6A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
None
 0.56A 3f8wC-5ko5A:
44.1		 3f8wC-5ko5A:
62.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		9 SER A  35
HIS A  88
TYR A  90
TYR A 202
GLU A 203
VAL A 219
GLY A 220
MET A 221
VAL A 262
 EDO  A 302 (-3.6A)
EDO  A 302 (-4.5A)
None
CYT  A 301 (-4.6A)
CYT  A 301 (-2.9A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
None
 0.93A 3f8wC-5ko5A:
44.1		 3f8wC-5ko5A:
62.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		7 TYR A 202
GLU A 203
VAL A 219
GLY A 220
MET A 221
ASN A 245
VAL A 262
 CYT  A 301 (-4.6A)
CYT  A 301 (-2.9A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
CYT  A 301 (-3.2A)
None
 1.08A 3f8wC-5ko5A:
44.1		 3f8wC-5ko5A:
62.15
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.
5kvc HALOHYDRIN
DEHALOGENASE

(Agrobacterium
tumefaciens) 		PF13561
(adh_short_C2) 		5 ALA A  18
GLY A  13
GLY A 218
ASN A  79
VAL A   6
 None
EDO  A 305 ( 4.3A)
None
None
None
 1.20A 3f8wC-5kvcA:
2.2		 3f8wC-5kvcA:
22.48
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.
5lcw CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 SER Q 266
HIS Q 293
GLY Q 288
VAL Q 312
GLY Q 284
 None
 0.92A 3f8wC-5lcwQ:
undetectable		 3f8wC-5lcwQ:
23.27
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.
5lcw CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 SER R 266
HIS R 293
GLY R 288
VAL R 312
GLY R 284
 None
 0.92A 3f8wC-5lcwR:
undetectable		 3f8wC-5lcwR:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4

(Homo sapiens) 		no annotation 5 SER A 462
ALA A 470
VAL A 513
GLY A 514
MET A 515
 None
 0.81A 3f8wC-5nqaA:
undetectable		 3f8wC-5nqaA:
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.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 TYR A 511
ALA A 617
GLY A 596
ASN A 675
VAL A 671
 GOL  A 801 (-4.4A)
None
None
None
None
 1.20A 3f8wC-5oljA:
2.4		 3f8wC-5oljA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5thz CURJ

(Moorea
producens) 		no annotation 5 SER B 172
TYR B 305
ALA B 173
VAL B  24
MET B 178
 None
 1.00A 3f8wC-5thzB:
undetectable		 3f8wC-5thzB:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		5 SER A 200
ALA A 204
GLY A 223
TYR A  64
GLY A 207
 None
 1.05A 3f8wC-5u2nA:
undetectable		 3f8wC-5u2nA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ucy TUBULIN ALPHA CHAIN

(Tetrahymena
thermophila) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 TYR A 224
GLY A 144
GLU A  71
GLY A  10
ASN A 101
 GTP  A 501 (-1.0A)
GTP  A 501 (-2.2A)
GTP  A 501 ( 1.8A)
GTP  A 501 (-2.2A)
GTP  A 501 (-3.3A)
 0.95A 3f8wC-5ucyA:
undetectable		 3f8wC-5ucyA:
22.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		11 SER A  33
HIS A  86
TYR A  88
ALA A 116
GLY A 118
GLU A 201
VAL A 217
GLY A 218
MET A 219
ASN A 243
VAL A 260
 PO4  A 301 (-2.8A)
PO4  A 301 (-4.0A)
IM5  A 308 (-4.5A)
PO4  A 301 ( 4.0A)
IM5  A 308 (-3.7A)
IM5  A 308 (-2.9A)
IM5  A 308 (-4.4A)
IM5  A 308 (-3.4A)
IM5  A 308 (-3.5A)
IM5  A 308 (-3.1A)
IM5  A 308 ( 4.3A)
 0.36A 3f8wC-5ugfA:
42.0		 3f8wC-5ugfA:
44.83
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.
5wpk 3-HYDROXY-3-METHYLGL
UTARYL COENZYME A
REDUCTASE

(Streptococcus
pneumoniae) 		no annotation 5 SER A  92
ALA A  88
GLY A 268
GLY A 358
VAL A  63
 None
 1.12A 3f8wC-5wpkA:
undetectable		 3f8wC-5wpkA:
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.
5x2g CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Campylobacter
jejuni) 		no annotation 5 ALA A  17
GLY A  15
VAL A  29
GLY A  28
VAL A 712
 None
 1.17A 3f8wC-5x2gA:
undetectable		 3f8wC-5x2gA:
15.57
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.
5x62 CARNOSINE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF07942
(N2227) 		5 SER A 136
ALA A 140
GLY A 160
MET A 159
VAL A 270
 None
 1.10A 3f8wC-5x62A:
undetectable		 3f8wC-5x62A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xnp RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA

(Homo sapiens) 		no annotation 5 SER D  42
ALA D  41
GLY D  35
VAL D  36
GLY D  39
 None
 1.13A 3f8wC-5xnpD:
undetectable		 3f8wC-5xnpD:
13.43
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.
5xxu RIBOSOMAL PROTEIN
US5

(Toxoplasma
gondii) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 ALA C 199
GLY C 120
VAL C 112
GLY C 113
VAL C 147
 None
 1.09A 3f8wC-5xxuC:
undetectable		 3f8wC-5xxuC:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xya -

(-) 		no annotation 5 SER A 617
ALA A 378
GLY A 403
GLY A 348
ASN A 581
 AES  A1701 (-1.4A)
None
None
None
None
 0.90A 3f8wC-5xyaA:
undetectable		 3f8wC-5xyaA:
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.
5xyi UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 ALA C 206
GLY C 127
VAL C 119
GLY C 120
VAL C 154
 None
 1.02A 3f8wC-5xyiC:
undetectable		 3f8wC-5xyiC:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 5 TYR A 527
ALA A 637
GLY A 616
ASN A 696
VAL A 692
 PRO  A 802 (-4.7A)
None
None
None
None
 1.16A 3f8wC-5yp3A:
undetectable		 3f8wC-5yp3A:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6az1 RIBOSOMAL PROTEIN S5

(Leishmania
donovani) 		no annotation 5 ALA F 203
GLY F 124
VAL F 116
GLY F 117
VAL F 151
 None
 1.05A 3f8wC-6az1F:
undetectable		 3f8wC-6az1F:
13.89
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.
6c66 UNCHARACTERIZED
PROTEIN

(Thermobifida
fusca) 		no annotation 5 HIS I  48
ALA I  38
GLY I  36
VAL I  35
GLY I  34
 None
 1.05A 3f8wC-6c66I:
undetectable		 3f8wC-6c66I:
15.19