SIMILAR PATTERNS OF AMINO ACIDS FOR 1VHW_F_ADNF252_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		6 ARG A  86
GLY A  91
VAL A 179
GLU A 180
MET A 181
GLU A 182
 SO4  A 250 ( 3.1A)
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)
 0.70A 1vhwB-1jdzA:
33.7
1vhwF-1jdzA:
33.7		 1vhwB-1jdzA:
29.92
1vhwF-1jdzA:
29.92
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) 		6 MET A  65
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
 ADN  A1237 (-4.1A)
SO4  A1236 ( 2.8A)
ADN  A1237 (-3.4A)
ADN  A1237 (-4.9A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
 0.43A 1vhwB-1odiA:
36.2
1vhwF-1odiA:
35.7		 1vhwB-1odiA:
33.88
1vhwF-1odiA:
33.88
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)
 1.35A 1vhwB-1pk9A:
41.9
1vhwF-1pk9A:
41.5		 1vhwB-1pk9A:
79.75
1vhwF-1pk9A:
79.75
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
SER A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 2FA  A 306 (-3.6A)
PO4  A 309 ( 2.8A)
PO4  A 309 ( 2.7A)
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)
 0.24A 1vhwB-1pk9A:
41.9
1vhwF-1pk9A:
41.5		 1vhwB-1pk9A:
79.75
1vhwF-1pk9A:
79.75
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) 		7 MET A  64
ARG A  87
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 (-3.1A)
2FD  A 300 (-4.7A)
None
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
 0.31A 1vhwB-1z34A:
39.4
1vhwF-1z34A:
39.6		 1vhwB-1z34A:
54.36
1vhwF-1z34A:
54.36
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.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
 MTM  A 301 (-3.1A)
MTM  A 301 (-3.6A)
None
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
 0.56A 1vhwB-1zosA:
23.2
1vhwF-1zosA:
23.0		 1vhwB-1zosA:
24.81
1vhwF-1zosA:
24.81
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.
2bsx PURINE NUCLEOSIDE
PHOSPHORYLASE

(Plasmodium
falciparum) 		PF01048
(PNP_UDP_1) 		7 ARG A  88
SER A  91
GLY A  93
VAL A 181
GLU A 182
MET A 183
GLU A 184
 NOS  A1248 ( 4.5A)
NOS  A1248 (-2.9A)
NOS  A1248 (-4.0A)
NOS  A1248 ( 4.4A)
None
NOS  A1248 (-3.4A)
NOS  A1248 (-3.1A)
 0.64A 1vhwB-2bsxA:
32.0
1vhwF-2bsxA:
32.2		 1vhwB-2bsxA:
29.17
1vhwF-2bsxA:
29.17
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 HIS A  30
ARG A 351
GLY A 366
VAL A   3
GLU A 978
 None
None
None
None
OMT  A2473 ( 4.9A)
 1.44A 1vhwB-2vdcA:
undetectable
1vhwF-2vdcA:
undetectable		 1vhwB-2vdcA:
10.85
1vhwF-2vdcA:
10.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		6 MET A  87
ARG A 137
GLY A 142
GLU A 284
MET A 285
GLU A 286
 R1P  A 401 ( 3.9A)
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)
 0.36A 1vhwB-3bjeA:
29.8
1vhwF-3bjeA:
29.3		 1vhwB-3bjeA:
24.44
1vhwF-3bjeA:
24.44
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.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		6 SER A  75
GLY A  77
VAL A 170
GLU A 171
MET A 172
GLU A 173
 FMC  A 229 (-3.0A)
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)
 0.42A 1vhwB-3bl6A:
25.0
1vhwF-3bl6A:
24.8		 1vhwB-3bl6A:
25.38
1vhwF-3bl6A:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
 BIG  A 301 (-3.3A)
BIG  A 301 (-3.7A)
BIG  A 301 (-4.9A)
None
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
 0.45A 1vhwB-3dp9A:
24.5
1vhwF-3dp9A:
24.3		 1vhwB-3dp9A:
24.42
1vhwF-3dp9A:
24.42
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		6 SER A  79
GLY A  81
VAL A 175
GLU A 176
MET A 177
GLU A 178
 MTM  A 234 (-3.1A)
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)
 0.44A 1vhwB-3eeiA:
24.5
1vhwF-3eeiA:
24.2		 1vhwB-3eeiA:
25.19
1vhwF-3eeiA:
25.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		7 ARG A  89
SER A  92
GLY A  94
VAL A 182
GLU A 183
MET A 184
GLU A 185
 SO4  A 254 (-3.2A)
SO4  A 254 (-3.2A)
None
None
None
None
None
 0.37A 1vhwB-3emvA:
32.7
1vhwF-3emvA:
32.6		 1vhwB-3emvA:
30.08
1vhwF-3emvA:
30.08
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.
3euf URIDINE
PHOSPHORYLASE 1

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		6 MET A 110
ARG A 138
GLY A 143
GLU A 248
MET A 249
GLU A 250
 BAU  A 400 (-3.5A)
PO4  A 401 (-3.0A)
BAU  A 400 (-3.3A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
 0.41A 1vhwB-3eufA:
24.9
1vhwF-3eufA:
24.6		 1vhwB-3eufA:
26.27
1vhwF-3eufA:
26.27
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.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		6 MET A 109
ARG A 137
GLY A 142
GLU A 247
MET A 248
GLU A 249
 R2B  A 313 (-3.9A)
SO4  A 311 ( 3.0A)
URA  A 312 (-3.3A)
R2B  A 313 ( 4.4A)
URA  A 312 ( 3.7A)
R2B  A 313 (-2.6A)
 0.38A 1vhwB-3kvyA:
25.3
1vhwF-3kvyA:
24.9		 1vhwB-3kvyA:
26.75
1vhwF-3kvyA:
26.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
 4CT  A 233 (-3.2A)
4CT  A 233 (-3.8A)
4CT  A 233 ( 4.9A)
None
4CT  A 233 (-3.6A)
4CT  A 233 (-3.0A)
 0.42A 1vhwB-3o4vA:
24.8
1vhwF-3o4vA:
24.5		 1vhwB-3o4vA:
24.21
1vhwF-3o4vA:
24.21
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) 		5 ARG A  38
GLY A 191
VAL A 192
GLU A 193
GLU A 195
 PO4  A 501 (-2.9A)
None
DIH  A 500 (-4.8A)
None
DIH  A 500 (-2.9A)
 1.40A 1vhwB-3of3A:
42.6
1vhwF-3of3A:
42.4		 1vhwB-3of3A:
98.77
1vhwF-3of3A:
98.77
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)
 1.34A 1vhwB-3of3A:
42.6
1vhwF-3of3A:
42.4		 1vhwB-3of3A:
98.77
1vhwF-3of3A:
98.77
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
SER A 104
GLY A 106
VAL A 192
GLU A 193
MET A 194
GLU A 195
 DIH  A 500 (-3.6A)
PO4  A 501 (-2.8A)
PO4  A 501 ( 2.7A)
DIH  A 500 (-4.0A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
 0.25A 1vhwB-3of3A:
42.6
1vhwF-3of3A:
42.4		 1vhwB-3of3A:
98.77
1vhwF-3of3A:
98.77
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.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		6 MET A 116
ARG A 144
GLY A 149
GLU A 254
MET A 255
GLU A 256
 BAU  A 400 (-3.4A)
None
BAU  A 400 (-3.5A)
None
BAU  A 400 (-3.9A)
None
 0.41A 1vhwB-3p0fA:
24.8
1vhwF-3p0fA:
24.5		 1vhwB-3p0fA:
24.29
1vhwF-3p0fA:
24.29
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) 		5 ARG A  94
GLY A  99
GLU A 196
MET A 197
GLU A 198
 R1P  A1254 (-3.1A)
URA  A1255 (-3.2A)
R1P  A1254 ( 4.4A)
R1P  A1254 (-3.9A)
R1P  A1254 (-2.6A)
 0.44A 1vhwB-3qpbA:
32.8
1vhwF-3qpbA:
33.4		 1vhwB-3qpbA:
30.54
1vhwF-3qpbA:
30.54
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) 		8 MET A  69
ARG A  92
SER A  95
GLY A  97
VAL A 182
GLU A 183
MET A 184
GLU A 185
 None
SO4  A 239 (-3.2A)
SO4  A 239 (-3.4A)
None
None
None
None
SO4  A 239 ( 4.4A)
 0.47A 1vhwB-3tl6A:
35.4
1vhwF-3tl6A:
35.7		 1vhwB-3tl6A:
44.98
1vhwF-3tl6A:
44.98
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)
 1.32A 1vhwB-3uavA:
37.8
1vhwF-3uavA:
37.7		 1vhwB-3uavA:
55.00
1vhwF-3uavA:
55.00
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) 		7 MET A  64
ARG A  87
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
SO4  A 236 (-2.7A)
None
None
None
None
SO4  A 236 ( 4.4A)
 0.45A 1vhwB-3uavA:
37.8
1vhwF-3uavA:
37.7		 1vhwB-3uavA:
55.00
1vhwF-3uavA:
55.00
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
 1.44A 1vhwB-4daoA:
37.5
1vhwF-4daoA:
37.0		 1vhwB-4daoA:
50.97
1vhwF-4daoA:
50.97
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
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.48A 1vhwB-4daoA:
37.5
1vhwF-4daoA:
37.0		 1vhwB-4daoA:
50.97
1vhwF-4daoA:
50.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kn5 METHYLTHIOADENOSINE
NUCLEOSIDASE

(Weissella
paramesenteroides) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
GLU A 173
MET A 174
GLU A 175
 None
EDO  A 301 (-3.3A)
None
None
None
 0.65A 1vhwB-4kn5A:
23.5
1vhwF-4kn5A:
23.1		 1vhwB-4kn5A:
24.82
1vhwF-4kn5A:
24.82
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.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		5 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
 0.39A 1vhwB-4l0mA:
23.4
1vhwF-4l0mA:
23.2		 1vhwB-4l0mA:
22.85
1vhwF-4l0mA:
22.85
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
MET A 181
GLU A 182
 PO4  A 301 (-2.9A)
None
None
None
None
PO4  A 301 ( 4.7A)
 1.39A 1vhwB-4ldnA:
39.2
1vhwF-4ldnA:
38.7		 1vhwB-4ldnA:
50.76
1vhwF-4ldnA:
50.76
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
SER A  91
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
 None
PO4  A 301 (-2.9A)
PO4  A 301 (-3.0A)
None
None
None
None
PO4  A 301 ( 4.7A)
 0.39A 1vhwB-4ldnA:
39.2
1vhwF-4ldnA:
38.7		 1vhwB-4ldnA:
50.76
1vhwF-4ldnA:
50.76
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) 		6 MET A  64
ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 None
 0.50A 1vhwB-4lkrA:
38.6
1vhwF-4lkrA:
38.1		 1vhwB-4lkrA:
49.61
1vhwF-4lkrA:
49.61
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 MET A  64
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
 0.24A 1vhwB-4m3nA:
39.0
1vhwF-4m3nA:
38.5		 1vhwB-4m3nA:
49.06
1vhwF-4m3nA:
49.06
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) 		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 400 (-3.0A)
None
None
None
None
PO4  A 400 ( 4.4A)
 0.42A 1vhwB-4m7wA:
39.3
1vhwF-4m7wA:
38.9		 1vhwB-4m7wA:
48.28
1vhwF-4m7wA:
48.28
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.
4mch URIDINE
PHOSPHORYLASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.46A 1vhwB-4mchA:
32.0
1vhwF-4mchA:
31.6		 1vhwB-4mchA:
25.70
1vhwF-4mchA:
25.70
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.
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
 1.25A 1vhwB-4o7hA:
undetectable
1vhwF-4o7hA:
undetectable		 1vhwB-4o7hA:
21.88
1vhwF-4o7hA:
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
 0.43A 1vhwB-4pr3A:
15.1
1vhwF-4pr3A:
15.1		 1vhwB-4pr3A:
21.83
1vhwF-4pr3A:
21.83
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.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 6 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.51A 1vhwB-4qezB:
23.5
1vhwF-4qezB:
23.3		 1vhwB-4qezB:
28.52
1vhwF-4qezB:
28.52
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.
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)
 1.29A 1vhwB-4r2wA:
31.6
1vhwF-4r2wA:
31.8		 1vhwB-4r2wA:
27.41
1vhwF-4r2wA:
27.41
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.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		5 ARG A  88
GLY A  93
GLU A 193
MET A 194
GLU A 195
 SO4  A 302 ( 2.8A)
None
GOL  A 303 (-4.9A)
GOL  A 303 (-3.5A)
GOL  A 303 (-2.9A)
 0.37A 1vhwB-4r2wA:
31.6
1vhwF-4r2wA:
31.8		 1vhwB-4r2wA:
27.41
1vhwF-4r2wA:
27.41
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 MET A  86
ARG A 109
GLY A 114
GLU A 201
MET A 202
GLU A 203
 None
SO4  A 301 (-2.8A)
None
None
None
SO4  A 301 ( 4.4A)
 0.31A 1vhwB-4tymA:
38.8
1vhwF-4tymA:
38.2		 1vhwB-4tymA:
46.21
1vhwF-4tymA:
46.21
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.48A 1vhwB-5dk6A:
24.3
1vhwF-5dk6A:
24.1		 1vhwB-5dk6A:
24.14
1vhwF-5dk6A:
24.14
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.
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)
 0.40A 1vhwB-5k1zA:
24.5
1vhwF-5k1zA:
24.2		 1vhwB-5k1zA:
22.61
1vhwF-5k1zA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 ARG A  90
GLY A  95
GLU A 195
MET A 196
GLU A 197
 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)
 0.35A 1vhwB-5lhvA:
32.2
1vhwF-5lhvA:
31.8		 1vhwB-5lhvA:
26.81
1vhwF-5lhvA:
26.81
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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
 TRS  A 302 (-2.8A)
9DA  A 301 (-3.5A)
None
TRS  A 302 ( 4.6A)
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
 0.51A 1vhwB-5ue1A:
24.7
1vhwF-5ue1A:
24.5		 1vhwB-5ue1A:
26.62
1vhwF-5ue1A:
26.62
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.
6all FE(3+)-CITRATE-BINDI
NG PROTEIN YFMC

(Bacillus
anthracis) 		PF01497
(Peripla_BP_2) 		5 ARG A 214
ARG A 102
GLY A 304
VAL A  61
GLU A  59
 PE3  A 401 (-2.9A)
None
None
None
None
 1.48A 1vhwB-6allA:
undetectable
1vhwF-6allA:
undetectable		 1vhwB-6allA:
21.80
1vhwF-6allA:
21.80
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.
6g7x -

(-) 		no annotation 6 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.47A 1vhwB-6g7xA:
39.9
1vhwF-6g7xA:
39.3		 1vhwB-6g7xA:
undetectable
1vhwF-6g7xA:
undetectable