SIMILAR PATTERNS OF AMINO ACIDS FOR 3UAY_A_ADNA236

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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 ARG A  74
GLY A 128
VAL A 129
GLU A 132
ILE A 144
 None
 1.08A 3uayA-1dabA:
undetectable		 3uayA-1dabA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fkm PROTEIN (GYP1P)

(Saccharomyces
cerevisiae) 		PF00566
(RabGAP-TBC) 		5 MET A 494
GLY A 379
MET A 489
ASN A 381
ILE A 380
 None
 1.41A 3uayA-1fkmA:
undetectable		 3uayA-1fkmA:
18.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		7 ARG A  86
THR A  89
GLY A  91
VAL A 179
GLU A 180
MET A 181
GLU A 182
 SO4  A 250 ( 3.1A)
SO4  A 250 ( 3.0A)
FMB  A 270 (-3.3A)
FMB  A 270 (-4.6A)
FMB  A 270 (-4.6A)
FMB  A 270 (-3.8A)
FMB  A 270 (-2.8A)
 0.67A 3uayA-1jdzA:
21.6		 3uayA-1jdzA:
36.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		9 MET A  65
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
ASN A 204
ILE A 206
 ADN  A1237 (-4.1A)
SO4  A1236 ( 2.8A)
SO4  A1236 ( 3.0A)
ADN  A1237 (-3.4A)
ADN  A1237 (-4.9A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
ADN  A1237 (-3.2A)
ADN  A1237 (-4.4A)
 0.28A 3uayA-1odiA:
36.6		 3uayA-1odiA:
40.59
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.
1oh2 SUCROSE SPECIFIC
PORIN

(Salmonella
enterica) 		PF02264
(LamB) 		5 ARG Q 441
GLY Q 109
GLU Q 480
ASN Q 378
ILE Q 108
 None
 1.29A 3uayA-1oh2Q:
undetectable		 3uayA-1oh2Q:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pjb L-ALANINE
DEHYDROGENASE

(Phormidium
lapideum) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 GLY A 340
VAL A 119
GLU A 120
ASN A 342
ILE A 114
 None
 1.39A 3uayA-1pjbA:
undetectable		 3uayA-1pjbA:
20.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		6 ARG A  87
GLY A 177
VAL A 178
GLU A 179
MET A 180
GLU A 181
 PO4  A 309 ( 2.8A)
None
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
 1.42A 3uayA-1pk9A:
37.4		 3uayA-1pk9A:
55.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		8 MET A  64
ARG A  87
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A 206
 2FA  A 306 (-3.6A)
PO4  A 309 ( 2.8A)
2FA  A 306 (-3.5A)
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
None
 0.41A 3uayA-1pk9A:
37.4		 3uayA-1pk9A:
55.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 THR A 115
GLY A 685
VAL A 705
GLU A 230
ILE A 708
 None
 1.25A 3uayA-1po0A:
undetectable		 3uayA-1po0A:
14.17
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.
1sxj ACTIVATOR 1 37 KDA
SUBUNIT
ACTIVATOR 1 95 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1)
PF08542
(Rep_fac_C) 		5 ARG B 285
THR A 573
GLY A 568
ASN A 571
ILE A 567
 None
 1.19A 3uayA-1sxjB:
undetectable		 3uayA-1sxjB:
24.23
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.
1u59 TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ARG A 594
GLY A 448
GLU A 590
ASN A 395
ILE A 477
 None
 1.36A 3uayA-1u59A:
undetectable		 3uayA-1u59A:
21.88
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.
1wql ETHYLBENZENE
DIOXYGENASE SMALL
SUBUNIT
IRON-SULFUR PROTEIN
LARGE SUBUNIT OF
CUMENE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		5 THR B 101
GLY A 389
VAL A 393
GLU A 394
ILE A 217
 None
 1.22A 3uayA-1wqlB:
undetectable		 3uayA-1wqlB:
19.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z34 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Trichomonas
vaginalis) 		PF01048
(PNP_UDP_1) 		9 MET A  64
ARG A  87
THR A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A 206
 2FD  A 300 (-3.8A)
2FD  A 300 ( 4.5A)
2FD  A 300 (-4.2A)
2FD  A 300 (-3.1A)
2FD  A 300 (-4.7A)
None
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
None
 0.44A 3uayA-1z34A:
37.4		 3uayA-1z34A:
47.23
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.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
 MTM  A 301 (-3.6A)
None
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
 0.61A 3uayA-1zosA:
22.6		 3uayA-1zosA:
26.72
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.
2bht CYSTEINE SYNTHASE B

(Escherichia
coli) 		PF00291
(PALP) 		5 THR A 152
GLY A 155
VAL A 182
GLU A 184
ILE A 158
 None
 1.17A 3uayA-2bhtA:
undetectable		 3uayA-2bhtA:
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.
2bsx PURINE NUCLEOSIDE
PHOSPHORYLASE

(Plasmodium
falciparum) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
GLY A  93
VAL A 181
GLU A 182
MET A 183
GLU A 184
 NOS  A1248 ( 4.5A)
NOS  A1248 (-4.0A)
NOS  A1248 ( 4.4A)
None
NOS  A1248 (-3.4A)
NOS  A1248 (-3.1A)
 0.55A 3uayA-2bsxA:
32.3		 3uayA-2bsxA:
29.71
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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		5 GLY A 246
VAL A 238
GLU A 237
GLU A  19
ILE A 432
 None
 1.11A 3uayA-2glfA:
7.2		 3uayA-2glfA:
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.
2gz6 N-ACETYL-D-GLUCOSAMI
NE 2-EPIMERASE

(Anabaena sp.
CH1) 		PF07221
(GlcNAc_2-epim) 		5 ARG A 375
GLY A 238
VAL A 305
GLU A 308
ASN A 236
 None
 1.30A 3uayA-2gz6A:
undetectable		 3uayA-2gz6A:
19.59
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.
2o0x 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00275
(EPSP_synthase) 		5 ARG A 385
THR A 411
GLY A  21
GLU A 311
ILE A 236
 SKP  A 501 (-3.8A)
None
None
SKP  A 501 (-4.0A)
None
 1.35A 3uayA-2o0xA:
undetectable		 3uayA-2o0xA:
19.96
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.
2ovj RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00620
(RhoGAP) 		5 MET A 491
GLY A 501
VAL A 528
GLU A 529
ILE A 504
 None
 1.13A 3uayA-2ovjA:
undetectable		 3uayA-2ovjA:
23.48
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.
2qiw PEP PHOSPHONOMUTASE

(Corynebacterium
glutamicum) 		PF13714
(PEP_mutase) 		5 THR A 152
GLY A 150
VAL A 111
GLU A 112
ILE A 148
 None
 0.94A 3uayA-2qiwA:
undetectable		 3uayA-2qiwA:
24.33
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.
2r5f TRANSCRIPTIONAL
REGULATOR, PUTATIVE

(Pseudomonas
syringae group
genomosp. 3) 		PF04198
(Sugar-bind) 		5 THR A 207
GLY A 115
VAL A 142
GLU A 141
ILE A 116
 None
 1.30A 3uayA-2r5fA:
undetectable		 3uayA-2r5fA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w45 ALKALINE EXONUCLEASE

(Human
gammaherpesvirus
4) 		PF01771
(Herpes_alk_exo) 		5 ARG A 298
VAL A 270
GLU A 271
ASN A 263
ILE A 262
 None
 1.17A 3uayA-2w45A:
undetectable		 3uayA-2w45A:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 THR A 210
GLY A 177
MET A 170
GLU A 165
ILE A 178
 None
 1.00A 3uayA-2wghA:
undetectable		 3uayA-2wghA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ARG A 176
GLY A 151
GLU A 148
GLU A 392
ILE A 403
 None
 1.35A 3uayA-2xvgA:
undetectable		 3uayA-2xvgA:
13.51
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.
2yvp MUTT/NUDIX FAMILY
PROTEIN

(Thermus
thermophilus) 		PF00293
(NUDIX) 		5 THR A 134
GLY A  96
VAL A  95
GLU A  94
GLU A 139
 None
None
None
MG  A 184 (-2.5A)
MG  A 183 (-2.5A)
 1.37A 3uayA-2yvpA:
undetectable		 3uayA-2yvpA:
20.92
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.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		7 MET A  87
ARG A 137
THR A 140
GLY A 142
GLU A 284
MET A 285
GLU A 286
 R1P  A 401 ( 3.9A)
R1P  A 401 (-3.0A)
R1P  A 401 (-3.0A)
URA  A 501 (-3.4A)
R1P  A 401 ( 4.6A)
R1P  A 401 ( 3.9A)
R1P  A 401 (-2.6A)
 0.42A 3uayA-3bjeA:
29.5		 3uayA-3bjeA:
26.00
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.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		5 GLY A  77
VAL A 170
GLU A 171
MET A 172
GLU A 173
 FMC  A 229 (-3.6A)
FMC  A 229 ( 4.7A)
FMC  A 229 (-4.7A)
FMC  A 229 (-3.5A)
FMC  A 229 (-2.5A)
 0.48A 3uayA-3bl6A:
25.2		 3uayA-3bl6A:
25.20
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.
3c0k UPF0064 PROTEIN YCCW

(Escherichia
coli) 		PF10672
(Methyltrans_SAM) 		5 ARG A 212
GLY A 203
VAL A 194
GLU A 187
ILE A 196
 None
 0.99A 3uayA-3c0kA:
undetectable		 3uayA-3c0kA:
20.15
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.
3chv PROKARYOTIC DOMAIN
OF UNKNOWN FUNCTION
(DUF849) WITH A TIM
BARREL FOLD

(Ruegeria
pomeroyi) 		PF05853
(BKACE) 		5 THR A 228
GLY A 209
VAL A 175
GLU A 145
ILE A 210
 None
 1.22A 3uayA-3chvA:
undetectable		 3uayA-3chvA:
22.95
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.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
 BIG  A 301 (-3.7A)
BIG  A 301 (-4.9A)
None
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
 0.54A 3uayA-3dp9A:
24.4		 3uayA-3dp9A:
24.39
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 MET A 171
THR A 144
GLY A 167
GLU A 182
ILE A 209
 None
 1.41A 3uayA-3e0lA:
undetectable		 3uayA-3e0lA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		5 GLY A  81
VAL A 175
GLU A 176
MET A 177
GLU A 178
 MTM  A 234 (-3.9A)
MTM  A 234 ( 4.9A)
MTM  A 234 (-4.6A)
MTM  A 234 (-3.8A)
MTM  A 234 (-2.6A)
 0.55A 3uayA-3eeiA:
24.2		 3uayA-3eeiA:
24.60
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		6 ARG A  89
GLY A  94
VAL A 182
GLU A 183
MET A 184
GLU A 185
 SO4  A 254 (-3.2A)
None
None
None
None
None
 0.46A 3uayA-3emvA:
32.6		 3uayA-3emvA:
26.74
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.
3euf URIDINE
PHOSPHORYLASE 1

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		7 MET A 110
ARG A 138
THR A 141
GLY A 143
GLU A 248
MET A 249
GLU A 250
 BAU  A 400 (-3.5A)
PO4  A 401 (-3.0A)
PO4  A 401 ( 3.0A)
BAU  A 400 (-3.3A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
 0.38A 3uayA-3eufA:
24.6		 3uayA-3eufA:
24.04
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.
3h8z FRAGILE X MENTAL
RETARDATION
SYNDROME-RELATED
PROTEIN 2

(Homo sapiens) 		PF05641
(Agenet) 		5 ARG A 124
GLY A  29
VAL A  17
GLU A  18
ILE A  41
 None
 1.34A 3uayA-3h8zA:
undetectable		 3uayA-3h8zA:
21.01
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.
3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Vibrio cholerae) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 ARG A 173
GLY A 140
VAL A 141
GLU A 142
ILE A 201
 FAD  A 358 ( 3.3A)
None
None
None
None
 1.44A 3uayA-3i99A:
undetectable		 3uayA-3i99A:
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.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		7 MET A 109
ARG A 137
THR A 140
GLY A 142
GLU A 247
MET A 248
GLU A 249
 R2B  A 313 (-3.9A)
SO4  A 311 ( 3.0A)
SO4  A 311 ( 3.1A)
URA  A 312 (-3.3A)
R2B  A 313 ( 4.4A)
URA  A 312 ( 3.7A)
R2B  A 313 (-2.6A)
 0.34A 3uayA-3kvyA:
24.9		 3uayA-3kvyA:
25.80
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.
3kzp PUTATIVE DIGUANYLATE
CYCLASE/PHOSPHODIEST
ERASE

(Listeria
monocytogenes) 		PF00563
(EAL) 		5 THR A 108
VAL A 105
GLU A 106
GLU A  25
ILE A 137
 None
None
CA  A 240 (-3.3A)
CA  A 240 (-2.9A)
None
 1.36A 3uayA-3kzpA:
undetectable		 3uayA-3kzpA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mb8 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Toxoplasma
gondii) 		PF01048
(PNP_UDP_1) 		5 ARG A  93
THR A  96
GLY A  98
MET A 187
GLU A 188
 PO4  A 281 ( 3.0A)
PO4  A 281 ( 3.2A)
IMH  A 280 (-3.2A)
IMH  A 280 (-3.8A)
IMH  A 280 (-2.5A)
 0.25A 3uayA-3mb8A:
32.4		 3uayA-3mb8A:
26.21
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.
3n7t MACROPHAGE BINDING
PROTEIN

(Coccidioides
immitis) 		PF01965
(DJ-1_PfpI) 		5 THR A 229
GLY A 138
VAL A 107
GLU A  32
ILE A 137
 None
 1.25A 3uayA-3n7tA:
undetectable		 3uayA-3n7tA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
 4CT  A 233 (-3.8A)
4CT  A 233 ( 4.9A)
None
4CT  A 233 (-3.6A)
4CT  A 233 (-3.0A)
 0.47A 3uayA-3o4vA:
23.9		 3uayA-3o4vA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 ARG A 101
GLY A 191
VAL A 192
GLU A 193
MET A 194
GLU A 195
 PO4  A 501 (-2.8A)
None
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
 1.43A 3uayA-3of3A:
37.6		 3uayA-3of3A:
54.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		8 MET A  78
ARG A 101
GLY A 106
VAL A 192
GLU A 193
MET A 194
GLU A 195
ILE A 220
 DIH  A 500 (-3.6A)
PO4  A 501 (-2.8A)
DIH  A 500 (-4.0A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
None
 0.34A 3uayA-3of3A:
37.6		 3uayA-3of3A:
54.20
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.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		7 MET A 116
ARG A 144
THR A 147
GLY A 149
GLU A 254
MET A 255
GLU A 256
 BAU  A 400 (-3.4A)
None
BAU  A 400 (-4.5A)
BAU  A 400 (-3.5A)
None
BAU  A 400 (-3.9A)
None
 0.43A 3uayA-3p0fA:
24.3		 3uayA-3p0fA:
26.88
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.
3peh ENDOPLASMIN HOMOLOG

(Plasmodium
falciparum) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ARG A 134
THR A 147
GLY A 150
GLU A 132
ILE A 114
 SO4  A   1 (-3.8A)
SO4  A   1 (-3.2A)
None
None
None
 1.34A 3uayA-3pehA:
undetectable		 3uayA-3pehA:
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.
3pxj TYROSINE-PROTEIN
PHOSPHATASE LAR

(Drosophila
melanogaster) 		PF07679
(I-set) 		5 THR A 156
GLY A 154
VAL A 153
GLU A 152
ASN A 198
 None
 1.43A 3uayA-3pxjA:
undetectable		 3uayA-3pxjA:
22.71
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.
3qnk PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 THR A 188
GLY A 206
VAL A 232
GLU A 231
ILE A 263
 None
 1.04A 3uayA-3qnkA:
undetectable		 3uayA-3qnkA:
19.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qpb URIDINE
PHOSPHORYLASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		6 ARG A  94
THR A  97
GLY A  99
GLU A 196
MET A 197
GLU A 198
 R1P  A1254 (-3.1A)
R1P  A1254 (-3.0A)
URA  A1255 (-3.2A)
R1P  A1254 ( 4.4A)
R1P  A1254 (-3.9A)
R1P  A1254 (-2.6A)
 0.32A 3uayA-3qpbA:
31.2		 3uayA-3qpbA:
31.00
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.
3rpd METHIONINE SYNTHASE
(B12-INDEPENDENT)

(Shewanella sp.
W3-18-1) 		PF01717
(Meth_synt_2) 		5 ARG A 159
GLY A 203
VAL A 199
GLU A 198
ILE A 204
 None
 1.28A 3uayA-3rpdA:
undetectable		 3uayA-3rpdA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tl6 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Entamoeba
histolytica) 		PF01048
(PNP_UDP_1) 		7 MET A  69
ARG A  92
GLY A  97
VAL A 182
GLU A 183
MET A 184
GLU A 185
 None
SO4  A 239 (-3.2A)
None
None
None
None
SO4  A 239 ( 4.4A)
 0.51A 3uayA-3tl6A:
36.1		 3uayA-3tl6A:
44.86
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		5 ARG B 261
GLY B 636
VAL B 637
GLU B 638
ILE B 635
 None
 1.32A 3uayA-3u44B:
undetectable		 3uayA-3u44B:
11.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		8 ARG A  87
THR A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A  94
 SO4  A 236 (-2.7A)
SO4  A 236 (-3.0A)
None
None
None
None
SO4  A 236 ( 4.4A)
None
 1.41A 3uayA-3uavA:
43.8		 3uayA-3uavA:
99.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		9 MET A  64
ARG A  87
THR A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A 206
 None
SO4  A 236 (-2.7A)
SO4  A 236 (-3.0A)
None
None
None
None
SO4  A 236 ( 4.4A)
None
 0.28A 3uayA-3uavA:
43.8		 3uayA-3uavA:
99.57
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ARG A  49
GLY A 101
VAL A  97
GLU A  98
ASN A  54
 SO4  A1396 (-3.8A)
None
None
None
None
 1.37A 3uayA-4cnkA:
undetectable		 3uayA-4cnkA:
20.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		6 ARG A  87
GLY A 176
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.48A 3uayA-4daoA:
39.4		 3uayA-4daoA:
70.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		7 MET A  64
ARG A  87
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.33A 3uayA-4daoA:
39.4		 3uayA-4daoA:
70.94
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.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		5 GLY A  20
VAL A  16
GLU A  15
ASN A  21
ILE A  32
 None
 1.07A 3uayA-4dq1A:
undetectable		 3uayA-4dq1A:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.96A 3uayA-4g41A:
24.1		 3uayA-4g41A:
25.59
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.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii) 		PF13306
(LRR_5) 		5 ARG A 221
THR A 198
VAL A 177
GLU A 201
ILE A 170
 None
 1.41A 3uayA-4gt6A:
undetectable		 3uayA-4gt6A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hl6 UNCHARACTERIZED
PROTEIN YFDE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		5 ARG A  51
GLY A 372
VAL A  74
GLU A  42
ILE A 375
 None
 1.33A 3uayA-4hl6A:
undetectable		 3uayA-4hl6A:
21.25
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.
4hl6 UNCHARACTERIZED
PROTEIN YFDE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		5 ARG A  51
THR A 367
VAL A  74
GLU A  42
ILE A 375
 None
 1.37A 3uayA-4hl6A:
undetectable		 3uayA-4hl6A:
21.25
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.
4ipa PUTATIVE CURVED
DNA-BINDING PROTEIN

(Chaetomium
thermophilum) 		PF00557
(Peptidase_M24) 		5 ARG A 336
GLY A 244
VAL A 245
GLU A 246
ILE A 341
 None
 1.34A 3uayA-4ipaA:
undetectable		 3uayA-4ipaA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 GLY A 271
VAL A 267
GLU A 268
ASN A 288
ILE A 289
 None
 1.25A 3uayA-4k37A:
undetectable		 3uayA-4k37A:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
GLY A  93
VAL A 179
GLU A 180
GLU A 182
ILE A  95
 PO4  A 301 (-2.9A)
None
None
None
PO4  A 301 ( 4.7A)
None
 1.38A 3uayA-4ldnA:
38.8		 3uayA-4ldnA:
45.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
GLY A 178
VAL A 179
GLU A 180
GLU A 182
ILE A  95
 PO4  A 301 (-2.9A)
None
None
None
PO4  A 301 ( 4.7A)
None
 1.41A 3uayA-4ldnA:
38.8		 3uayA-4ldnA:
45.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		8 MET A  65
ARG A  88
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
ILE A 207
 None
PO4  A 301 (-2.9A)
None
None
None
None
PO4  A 301 ( 4.7A)
None
 0.46A 3uayA-4ldnA:
38.8		 3uayA-4ldnA:
45.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lkr PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		5 MET A  64
ARG A  87
GLY A  92
MET A 180
GLU A 181
 None
 0.47A 3uayA-4lkrA:
37.2		 3uayA-4lkrA:
46.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		7 MET A  64
THR A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
 0.48A 3uayA-4m3nA:
21.8		 3uayA-4m3nA:
55.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		6 THR A  90
GLY A  92
VAL A 178
GLU A 179
GLU A 181
ILE A  94
 None
 1.48A 3uayA-4m3nA:
21.8		 3uayA-4m3nA:
55.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7w PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Leptotrichia
buccalis) 		PF01048
(PNP_UDP_1) 		8 MET A  65
ARG A  88
THR A  91
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
 None
PO4  A 400 (-3.0A)
PO4  A 400 (-3.5A)
None
None
None
None
PO4  A 400 ( 4.4A)
 0.33A 3uayA-4m7wA:
40.4		 3uayA-4m7wA:
61.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9w ARA H 8 ALLERGEN

(Arachis
hypogaea) 		PF00407
(Bet_v_1) 		5 ARG A 144
THR A  11
GLY A 110
VAL A  14
GLU A 147
 None
 1.36A 3uayA-4m9wA:
undetectable		 3uayA-4m9wA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4me8 SIGNAL PEPTIDASE I

(Enterococcus
faecalis) 		PF00717
(Peptidase_S24) 		5 ARG A  86
THR A  89
VAL A  83
GLU A  84
ILE A  76
 None
 1.43A 3uayA-4me8A:
undetectable		 3uayA-4me8A:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 5 GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
 ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.65A 3uayA-4qezB:
23.4		 3uayA-4qezB:
25.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		5 ARG A  88
GLY A  93
GLU A 193
GLU A 195
ILE A  95
 SO4  A 302 ( 2.8A)
None
GOL  A 303 (-4.9A)
GOL  A 303 (-2.9A)
None
 1.41A 3uayA-4r2wA:
30.5		 3uayA-4r2wA:
34.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
THR A  91
GLY A  93
GLU A 193
MET A 194
GLU A 195
 SO4  A 302 ( 2.8A)
SO4  A 302 ( 3.0A)
None
GOL  A 303 (-4.9A)
GOL  A 303 (-3.5A)
GOL  A 303 (-2.9A)
 0.31A 3uayA-4r2wA:
30.5		 3uayA-4r2wA:
34.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Streptococcus
agalactiae) 		PF01048
(PNP_UDP_1) 		6 ARG A 109
THR A 112
GLY A 114
GLU A 201
GLU A 203
ILE A 116
 SO4  A 301 (-2.8A)
SO4  A 301 (-3.7A)
None
None
SO4  A 301 ( 4.4A)
None
 1.37A 3uayA-4tymA:
39.8		 3uayA-4tymA:
53.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Streptococcus
agalactiae) 		PF01048
(PNP_UDP_1) 		7 MET A  86
ARG A 109
THR A 112
GLY A 114
GLU A 201
MET A 202
GLU A 203
 None
SO4  A 301 (-2.8A)
SO4  A 301 (-3.7A)
None
None
None
SO4  A 301 ( 4.4A)
 0.46A 3uayA-4tymA:
39.8		 3uayA-4tymA:
53.10
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.
4urq DIGUANYLATE CYCLASE

(Thermotoga
maritima) 		PF00990
(GGDEF) 		5 GLY U 142
VAL U 145
GLU U 144
ASN U 134
ILE U 133
 None
 1.43A 3uayA-4urqU:
undetectable		 3uayA-4urqU:
21.28
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.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 ARG A 360
THR A 353
GLY A 375
VAL A 376
ILE A 374
 None
 1.33A 3uayA-4w1wA:
undetectable		 3uayA-4w1wA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7n MTA/SAH NUCLEOSIDASE

(Aeromonas
hydrophila) 		PF01048
(PNP_UDP_1) 		6 THR A 104
GLY A 106
GLU A 219
MET A 220
GLU A 221
ASN A 244
 SAH  A 301 (-4.3A)
SAH  A 301 (-3.2A)
SAH  A 301 (-4.9A)
SAH  A 301 (-3.6A)
SAH  A 301 (-2.6A)
SAH  A 301 (-3.2A)
 0.30A 3uayA-5b7nA:
24.0		 3uayA-5b7nA:
26.39
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.
5c2k TRANSFORMING PROTEIN
RHOA,RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00071
(Ras)
PF00620
(RhoGAP) 		5 MET A 353
GLY A 363
VAL A 390
GLU A 391
ILE A 366
 None
 1.25A 3uayA-5c2kA:
4.3		 3uayA-5c2kA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyf PUTATIVE URIDINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 ARG A 121
THR A 124
GLU A 232
MET A 233
GLU A 234
 FLC  A 301 (-3.0A)
FLC  A 301 (-3.7A)
None
None
FLC  A 301 (-2.8A)
 0.30A 3uayA-5cyfA:
23.9		 3uayA-5cyfA:
25.25
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.48A 3uayA-5dk6A:
23.6		 3uayA-5dk6A:
24.45
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.
5iz1 FRUCTOSE-1,6-BISPHOS
PHATASE

(Physcomitrella
patens) 		PF00316
(FBPase) 		5 THR A 278
GLY A 276
VAL A 267
MET A 259
ILE A 293
 None
 0.91A 3uayA-5iz1A:
undetectable		 3uayA-5iz1A:
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.
5jp6 PUTATIVE
POLYSACCHARIDE
DEACETYLASE

(Bdellovibrio
bacteriovorus) 		PF01522
(Polysacc_deac_1) 		5 GLY A 330
VAL A 171
GLU A 170
ASN A 302
ILE A 303
 None
 1.05A 3uayA-5jp6A:
undetectable		 3uayA-5jp6A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		5 GLY A  80
VAL A 172
GLU A 173
MET A 174
GLU A 175
 4CT  A 301 (-3.4A)
4CT  A 301 ( 4.5A)
None
4CT  A 301 (-3.0A)
4CT  A 301 (-2.2A)
 0.42A 3uayA-5k1zA:
24.5		 3uayA-5k1zA:
22.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 ARG A  90
GLY A  95
GLU A 195
GLU A 197
ILE A  97
 SO4  A 301 ( 3.0A)
URI  A 303 ( 3.4A)
URI  A 303 ( 4.6A)
URI  A 303 (-2.7A)
None
 1.39A 3uayA-5lhvA:
13.0		 3uayA-5lhvA:
33.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 ARG A  90
GLY A  95
GLU A 195
MET A 196
GLU A 197
ILE A 220
 SO4  A 301 ( 3.0A)
URI  A 303 ( 3.4A)
URI  A 303 ( 4.6A)
URI  A 303 ( 3.7A)
URI  A 303 (-2.7A)
URA  A 304 (-4.3A)
 1.50A 3uayA-5lhvA:
13.0		 3uayA-5lhvA:
33.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 ARG A  90
THR A  93
GLY A  95
GLU A 195
MET A 196
GLU A 197
 SO4  A 301 ( 3.0A)
SO4  A 301 ( 2.9A)
URI  A 303 ( 3.4A)
URI  A 303 ( 4.6A)
URI  A 303 ( 3.7A)
URI  A 303 (-2.7A)
 0.32A 3uayA-5lhvA:
13.0		 3uayA-5lhvA:
33.46
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 THR A 210
GLY A 177
MET A 170
GLU A 165
ILE A 178
 None
 0.95A 3uayA-5tusA:
undetectable		 3uayA-5tusA:
15.71
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 ARG A 658
GLY A 506
VAL A 504
GLU A 503
ILE A 479
 CL  A 801 (-3.1A)
None
None
None
None
 1.39A 3uayA-5u47A:
undetectable		 3uayA-5u47A:
15.65
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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
 9DA  A 301 (-3.5A)
None
TRS  A 302 ( 4.6A)
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
 0.60A 3uayA-5ue1A:
24.5		 3uayA-5ue1A:
23.69
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.
5us1 AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE

(Providencia
stuartii) 		PF13673
(Acetyltransf_10) 		5 ARG A 173
GLY A  76
VAL A  78
GLU A  79
ILE A 104
 None
None
None
8MM  A 201 (-4.5A)
None
 1.36A 3uayA-5us1A:
undetectable		 3uayA-5us1A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgc RAP1 GTPASE-GDP
DISSOCIATION
STIMULATOR 1

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 158
VAL A 198
GLU A 197
MET A 194
ASN A 159
 None
 1.28A 3uayA-5xgcA:
undetectable		 3uayA-5xgcA:
19.15
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.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 5 ARG A 379
GLY A 366
VAL A 362
GLU A 299
ILE A  70
 None
 1.45A 3uayA-6bldA:
undetectable		 3uayA-6bldA:
19.50
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.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 5 ARG A  98
GLY A 350
GLU A 374
ASN A  52
ILE A 349
 None
None
None
PO4  A 601 (-3.6A)
None
 1.30A 3uayA-6dd3A:
undetectable		 3uayA-6dd3A:
16.17
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.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 5 GLY A 350
VAL A 371
GLU A 374
ASN A  52
ILE A 349
 None
None
None
PO4  A 601 (-3.6A)
None
 1.28A 3uayA-6dd3A:
undetectable		 3uayA-6dd3A:
16.17
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.
6g7x -

(-) 		no annotation 6 ARG A  87
THR A  90
GLY A  92
GLU A 179
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
PO4  A 304 ( 4.7A)
None
 1.40A 3uayA-6g7xA:
38.2		 3uayA-6g7xA:
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.
6g7x -

(-) 		no annotation 7 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.45A 3uayA-6g7xA:
38.2		 3uayA-6g7xA:
undetectable