SIMILAR PATTERNS OF AMINO ACIDS FOR 2AC7_B_ADNB1215

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
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 2ac7A-1jdzA:
33.8
2ac7B-1jdzA:
33.9		 2ac7A-1jdzA:
36.25
2ac7B-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) 		7 MET A  65
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
 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)
 0.23A 2ac7A-1odiA:
35.4
2ac7B-1odiA:
35.4		 2ac7A-1odiA:
40.17
2ac7B-1odiA:
40.17
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 2ac7A-1pk9A:
36.0
2ac7B-1pk9A:
36.1		 2ac7A-1pk9A:
55.74
2ac7B-1pk9A:
55.74
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
ASP A 204
 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)
2FA  A 306 (-3.1A)
 0.38A 2ac7A-1pk9A:
36.0
2ac7B-1pk9A:
36.1		 2ac7A-1pk9A:
55.74
2ac7B-1pk9A:
55.74
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) 		8 MET A  64
ARG A  87
THR A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 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)
 0.47A 2ac7A-1z34A:
36.5
2ac7B-1z34A:
36.5		 2ac7A-1z34A:
47.66
2ac7B-1z34A:
47.66
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.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		6 GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
ASP A 197
 MTM  A 301 (-3.6A)
None
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
MTM  A 301 (-2.9A)
 0.61A 2ac7A-1zosA:
22.0
2ac7B-1zosA:
21.9		 2ac7A-1zosA:
26.72
2ac7B-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.
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)
 0.56A 2ac7A-2bsxA:
31.7
2ac7B-2bsxA:
31.8		 2ac7A-2bsxA:
29.71
2ac7B-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.
2pet LUTHERAN BLOOD GROUP
GLYCOPROTEIN

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2) 		5 ARG A  40
ARG A 109
GLY A  87
VAL A  86
GLU A  89
 None
 1.41A 2ac7A-2petA:
undetectable
2ac7B-2petA:
undetectable		 2ac7A-2petA:
22.14
2ac7B-2petA:
22.14
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.
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)
 1.35A 2ac7A-2yvpA:
undetectable
2ac7B-2yvpA:
undetectable		 2ac7A-2yvpA:
20.92
2ac7B-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)
 0.43A 2ac7A-3bjeA:
27.6
2ac7B-3bjeA:
27.7		 2ac7A-3bjeA:
26.00
2ac7B-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) 		6 GLY A  77
VAL A 170
GLU A 171
MET A 172
GLU A 173
ASP A 196
 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)
FMC  A 229 (-3.0A)
 0.49A 2ac7A-3bl6A:
24.5
2ac7B-3bl6A:
24.5		 2ac7A-3bl6A:
25.59
2ac7B-3bl6A:
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.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
ASP A 198
 BIG  A 301 (-3.7A)
BIG  A 301 (-4.9A)
None
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
BIG  A 301 (-2.9A)
 0.54A 2ac7A-3dp9A:
23.7
2ac7B-3dp9A:
23.6		 2ac7A-3dp9A:
24.80
2ac7B-3dp9A:
24.80
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		6 GLY A  81
VAL A 175
GLU A 176
MET A 177
GLU A 178
ASP A 201
 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)
MTM  A 234 (-3.0A)
 0.55A 2ac7A-3eeiA:
23.7
2ac7B-3eeiA:
23.6		 2ac7A-3eeiA:
24.70
2ac7B-3eeiA:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.47A 2ac7A-3emvA:
31.3
2ac7B-3emvA:
31.3		 2ac7A-3emvA:
26.74
2ac7B-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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		5 VAL A 182
GLU A 183
MET A 184
GLU A 185
ASP A 207
 None
 0.90A 2ac7A-3emvA:
31.3
2ac7B-3emvA:
31.3		 2ac7A-3emvA:
26.74
2ac7B-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 2ac7A-3eufA:
23.4
2ac7B-3eufA:
23.4		 2ac7A-3eufA:
24.33
2ac7B-3eufA:
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.
3f9t L-TYROSINE
DECARBOXYLASE MFNA

(Methanocaldococcus
jannaschii) 		PF00282
(Pyridoxal_deC) 		5 HIS A 204
THR A  95
GLY A  93
VAL A  91
ASP A 242
 None
PLP  A 500 (-3.6A)
PLP  A 500 (-3.6A)
None
PLP  A 500 (-4.2A)
 1.39A 2ac7A-3f9tA:
undetectable
2ac7B-3f9tA:
undetectable		 2ac7A-3f9tA:
21.57
2ac7B-3f9tA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2ac7A-3kvyA:
23.5
2ac7B-3kvyA:
23.6		 2ac7A-3kvyA:
25.24
2ac7B-3kvyA:
25.24
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.
3lgs 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASES

(Arabidopsis
thaliana) 		PF01048
(PNP_UDP_1) 		5 THR A 116
GLY A 118
MET A 201
GLU A 202
ASP A 225
 SAH  A 268 (-3.8A)
ADE  A 269 ( 3.6A)
SAH  A 268 ( 3.3A)
SAH  A 268 (-3.1A)
ADE  A 269 ( 3.0A)
 0.52A 2ac7A-3lgsA:
19.9
2ac7B-3lgsA:
19.9		 2ac7A-3lgsA:
24.21
2ac7B-3lgsA:
24.21
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.
3lif PUTATIVE DIGUANYLATE
CYCLASE (GGDEF) WITH
PAS/PAC DOMAIN

(Rhodopseudomonas
palustris) 		PF02743
(dCache_1) 		5 ARG A 228
MET A 230
GLY A 256
VAL A 251
ASP A 255
 None
 1.43A 2ac7A-3lifA:
undetectable
2ac7B-3lifA:
undetectable		 2ac7A-3lifA:
22.03
2ac7B-3lifA:
22.03
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.
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)
 0.28A 2ac7A-3mb8A:
30.7
2ac7B-3mb8A:
30.7		 2ac7A-3mb8A:
28.22
2ac7B-3mb8A:
28.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		6 GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
ASP A 197
 4CT  A 233 (-3.8A)
4CT  A 233 ( 4.9A)
None
4CT  A 233 (-3.6A)
4CT  A 233 (-3.0A)
4CT  A 233 (-2.9A)
 0.47A 2ac7A-3o4vA:
23.7
2ac7B-3o4vA:
23.7		 2ac7A-3o4vA:
22.22
2ac7B-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)
 1.44A 2ac7A-3of3A:
36.0
2ac7B-3of3A:
36.1		 2ac7A-3of3A:
54.62
2ac7B-3of3A:
54.62
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
ASP A 218
 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)
DIH  A 500 (-3.1A)
 0.43A 2ac7A-3of3A:
36.0
2ac7B-3of3A:
36.1		 2ac7A-3of3A:
54.62
2ac7B-3of3A:
54.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.45A 2ac7A-3p0fA:
23.1
2ac7B-3p0fA:
23.1		 2ac7A-3p0fA:
27.73
2ac7B-3p0fA:
27.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 HIS A 290
ARG A 289
GLY A 282
VAL A 301
GLU A 433
 None
 1.34A 2ac7A-3q9tA:
undetectable
2ac7B-3q9tA:
undetectable		 2ac7A-3q9tA:
19.68
2ac7B-3q9tA:
19.68
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)
 0.31A 2ac7A-3qpbA:
30.7
2ac7B-3qpbA:
30.7		 2ac7A-3qpbA:
31.10
2ac7B-3qpbA:
31.10
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.
3s3f TYROSINE-PROTEIN
PHOSPHATASE 10D

(Drosophila
melanogaster) 		PF00102
(Y_phosphatase) 		5 HIS A  34
GLY A 272
VAL A 274
GLU A  52
ASP A 269
 None
None
None
1BO  A 308 ( 4.7A)
None
 1.34A 2ac7A-3s3fA:
undetectable
2ac7B-3s3fA:
undetectable		 2ac7A-3s3fA:
20.38
2ac7B-3s3fA:
20.38
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) 		8 MET A  69
ARG A  92
GLY A  97
VAL A 182
GLU A 183
MET A 184
GLU A 185
ASP A 208
 None
SO4  A 239 (-3.2A)
None
None
None
None
SO4  A 239 ( 4.4A)
None
 0.75A 2ac7A-3tl6A:
35.5
2ac7B-3tl6A:
35.6		 2ac7A-3tl6A:
45.27
2ac7B-3tl6A:
45.27
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) 		5 ARG A  24
GLY A  92
VAL A 178
GLU A 179
GLU A 181
 SO4  A 236 (-2.6A)
None
None
None
SO4  A 236 ( 4.4A)
 1.49A 2ac7A-3uavA:
42.4
2ac7B-3uavA:
42.5		 2ac7A-3uavA:
100.00
2ac7B-3uavA:
100.00
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 MET A  64
ARG A  87
THR A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
SO4  A 236 (-2.7A)
SO4  A 236 (-3.0A)
None
None
None
None
SO4  A 236 ( 4.4A)
 0.22A 2ac7A-3uavA:
42.4
2ac7B-3uavA:
42.5		 2ac7A-3uavA:
100.00
2ac7B-3uavA:
100.00
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
 1.49A 2ac7A-4daoA:
37.8
2ac7B-4daoA:
37.9		 2ac7A-4daoA:
71.37
2ac7B-4daoA:
71.37
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) 		8 MET A  64
ARG A  87
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 None
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
 0.63A 2ac7A-4daoA:
37.8
2ac7B-4daoA:
37.9		 2ac7A-4daoA:
71.37
2ac7B-4daoA:
71.37
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.
4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE

(Francisella
philomiragia) 		PF01048
(PNP_UDP_1) 		5 GLY A  79
GLU A 171
MET A 172
GLU A 173
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-2.8A)
 0.49A 2ac7A-4josA:
23.0
2ac7B-4josA:
23.0		 2ac7A-4josA:
24.72
2ac7B-4josA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE

(Sulfurimonas
denitrificans) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
GLU A 171
MET A 172
GLU A 173
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-2.8A)
 0.46A 2ac7A-4jwtA:
22.6
2ac7B-4jwtA:
22.6		 2ac7A-4jwtA:
22.93
2ac7B-4jwtA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		5 GLY A  81
VAL A 178
MET A 180
GLU A 181
ASP A 204
 ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.0A)
 0.50A 2ac7A-4l0mA:
22.4
2ac7B-4l0mA:
22.4		 2ac7A-4l0mA:
24.81
2ac7B-4l0mA:
24.81
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) 		5 ARG A  25
ARG A  88
GLY A  93
GLU A 180
GLU A 182
 PO4  A 301 (-2.6A)
PO4  A 301 (-2.9A)
None
None
PO4  A 301 ( 4.7A)
 1.43A 2ac7A-4ldnA:
36.6
2ac7B-4ldnA:
36.7		 2ac7A-4ldnA:
46.36
2ac7B-4ldnA:
46.36
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) 		5 ARG A  88
GLY A 178
VAL A 179
GLU A 180
GLU A 182
 PO4  A 301 (-2.9A)
None
None
None
PO4  A 301 ( 4.7A)
 1.41A 2ac7A-4ldnA:
36.6
2ac7B-4ldnA:
36.7		 2ac7A-4ldnA:
46.36
2ac7B-4ldnA:
46.36
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) 		5 MET A  65
ARG A  88
GLU A 180
GLU A 182
ASP A 205
 None
PO4  A 301 (-2.9A)
None
PO4  A 301 ( 4.7A)
None
 0.86A 2ac7A-4ldnA:
36.6
2ac7B-4ldnA:
36.7		 2ac7A-4ldnA:
46.36
2ac7B-4ldnA:
46.36
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) 		7 MET A  65
ARG A  88
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
 None
PO4  A 301 (-2.9A)
None
None
None
None
PO4  A 301 ( 4.7A)
 0.46A 2ac7A-4ldnA:
36.6
2ac7B-4ldnA:
36.7		 2ac7A-4ldnA:
46.36
2ac7B-4ldnA:
46.36
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
 0.52A 2ac7A-4lkrA:
35.6
2ac7B-4lkrA:
35.7		 2ac7A-4lkrA:
47.27
2ac7B-4lkrA:
47.27
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
 0.56A 2ac7A-4m3nA:
38.3
2ac7B-4m3nA:
38.4		 2ac7A-4m3nA:
56.08
2ac7B-4m3nA:
56.08
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) 		9 MET A  65
ARG A  88
THR A  91
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
ASP A 205
 None
PO4  A 400 (-3.0A)
PO4  A 400 (-3.5A)
None
None
None
None
PO4  A 400 ( 4.4A)
None
 0.47A 2ac7A-4m7wA:
38.7
2ac7B-4m7wA:
38.7		 2ac7A-4m7wA:
61.63
2ac7B-4m7wA:
61.63
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.
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
 1.35A 2ac7A-4m9wA:
undetectable
2ac7B-4m9wA:
undetectable		 2ac7A-4m9wA:
21.14
2ac7B-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.
4o7h GLUTATHIONE
S-TRANSFERASE

(Rhodospirillum
rubrum) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 HIS A 184
ARG A 142
GLY A 133
VAL A 106
GLU A 105
 None
 1.10A 2ac7A-4o7hA:
undetectable
2ac7B-4o7hA:
undetectable		 2ac7A-4o7hA:
21.60
2ac7B-4o7hA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 GLY A  67
VAL A 142
MET A 144
GLU A 145
ASP A 168
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-2.8A)
 0.55A 2ac7A-4pr3A:
14.9
2ac7B-4pr3A:
14.9		 2ac7A-4pr3A:
19.44
2ac7B-4pr3A:
19.44
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 6 GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
ASP B 198
 ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-2.4A)
 0.62A 2ac7A-4qezB:
22.8
2ac7B-4qezB:
22.7		 2ac7A-4qezB:
24.90
2ac7B-4qezB:
24.90
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.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 5 GLY A  74
VAL A 135
MET A 137
GLU A 138
ASP A 161
 None
 0.37A 2ac7A-4qfbA:
17.0
2ac7B-4qfbA:
17.0		 2ac7A-4qfbA:
20.78
2ac7B-4qfbA:
20.78
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  27
ARG A  88
GLY A  93
GLU A 193
GLU A 195
 SO4  A 302 (-3.0A)
SO4  A 302 ( 2.8A)
None
GOL  A 303 (-4.9A)
GOL  A 303 (-2.9A)
 1.32A 2ac7A-4r2wA:
30.0
2ac7B-4r2wA:
30.0		 2ac7A-4r2wA:
34.23
2ac7B-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)
 0.29A 2ac7A-4r2wA:
30.0
2ac7B-4r2wA:
30.0		 2ac7A-4r2wA:
34.23
2ac7B-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) 		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)
 0.51A 2ac7A-4tymA:
38.2
2ac7B-4tymA:
38.3		 2ac7A-4tymA:
53.49
2ac7B-4tymA:
53.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z3l MAJOR POLLEN
ALLERGEN BET V 1-A

(Betula pendula) 		PF00407
(Bet_v_1) 		5 ARG A 145
THR A  10
GLY A 111
GLU A 148
ASP A 109
 None
 1.24A 2ac7A-4z3lA:
undetectable
2ac7B-4z3lA:
undetectable		 2ac7A-4z3lA:
22.45
2ac7B-4z3lA:
22.45
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.
5b7n MTA/SAH NUCLEOSIDASE

(Aeromonas
hydrophila) 		PF01048
(PNP_UDP_1) 		5 THR A 104
GLY A 106
GLU A 219
MET A 220
GLU A 221
 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)
 0.33A 2ac7A-5b7nA:
23.1
2ac7B-5b7nA:
23.1		 2ac7A-5b7nA:
26.02
2ac7B-5b7nA:
26.02
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.
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)
 0.35A 2ac7A-5cyfA:
22.6
2ac7B-5cyfA:
22.6		 2ac7A-5cyfA:
24.92
2ac7B-5cyfA:
24.92
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		6 GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-2.9A)
 0.47A 2ac7A-5dk6A:
23.0
2ac7B-5dk6A:
23.0		 2ac7A-5dk6A:
24.45
2ac7B-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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 ARG A 334
GLY A 216
GLU A 215
MET A 356
ASP A 220
 None
 1.40A 2ac7A-5ey9A:
undetectable
2ac7B-5ey9A:
undetectable		 2ac7A-5ey9A:
19.79
2ac7B-5ey9A:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		6 GLY A  80
VAL A 172
GLU A 173
MET A 174
GLU A 175
ASP A 198
 4CT  A 301 (-3.4A)
4CT  A 301 ( 4.5A)
None
4CT  A 301 (-3.0A)
4CT  A 301 (-2.2A)
4CT  A 301 (-2.2A)
 0.42A 2ac7A-5k1zA:
23.9
2ac7B-5k1zA:
23.9		 2ac7A-5k1zA:
21.95
2ac7B-5k1zA:
21.95
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)
 0.30A 2ac7A-5lhvA:
30.2
2ac7B-5lhvA:
30.2		 2ac7A-5lhvA:
33.46
2ac7B-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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		6 GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
ASP A 198
 9DA  A 301 (-3.5A)
None
TRS  A 302 ( 4.6A)
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
9DA  A 301 (-2.8A)
 0.60A 2ac7A-5ue1A:
23.9
2ac7B-5ue1A:
23.8		 2ac7A-5ue1A:
24.10
2ac7B-5ue1A:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xnc -

(-) 		no annotation 5 ARG A 118
ARG A 138
GLY A 157
VAL A 155
ASP A 179
 None
None
MTA  A 401 ( 3.7A)
None
MTA  A 401 (-2.8A)
 1.45A 2ac7A-5xncA:
undetectable
2ac7B-5xncA:
undetectable		 2ac7A-5xncA:
undetectable
2ac7B-5xncA:
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)
 0.49A 2ac7A-6g7xA:
36.3
2ac7B-6g7xA:
36.4		 2ac7A-6g7xA:
undetectable
2ac7B-6g7xA:
undetectable