SIMILAR PATTERNS OF AMINO ACIDS FOR 3U40_E_ADNE251

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) 		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)
 0.57A 3u40D-1jdzA:
33.2
3u40E-1jdzA:
32.6		 3u40D-1jdzA:
34.57
3u40E-1jdzA:
34.57
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)
 0.49A 3u40D-1odiA:
34.4
3u40E-1odiA:
33.2		 3u40D-1odiA:
36.14
3u40E-1odiA:
36.14
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) 		5 GLY A 177
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
 1.46A 3u40D-1pk9A:
35.8
3u40E-1pk9A:
17.6		 3u40D-1pk9A:
48.35
3u40E-1pk9A:
48.35
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) 		9 MET A  64
ARG A  87
SER A  90
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)
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)
2FA  A 306 (-3.1A)
 0.42A 3u40D-1pk9A:
35.8
3u40E-1pk9A:
17.6		 3u40D-1pk9A:
48.35
3u40E-1pk9A:
48.35
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)
 0.52A 3u40D-1z34A:
35.4
3u40E-1z34A:
35.4		 3u40D-1z34A:
45.61
3u40E-1z34A:
45.61
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.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
ASP A 197
 MTM  A 301 (-3.1A)
MTM  A 301 (-3.6A)
None
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
MTM  A 301 (-2.9A)
 0.63A 3u40D-1zosA:
22.6
3u40E-1zosA:
22.2		 3u40D-1zosA:
27.41
3u40E-1zosA:
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.
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)
 0.51A 3u40D-2bsxA:
31.4
3u40E-2bsxA:
31.2		 3u40D-2bsxA:
28.29
3u40E-2bsxA:
28.29
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.
2hq8 COELENTERAZINE-BINDI
NG PROTEIN CA-BOUND
APO FORM

(Renilla
muelleri) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 ARG A  42
ARG A  22
GLY A  29
VAL A  78
ASP A  28
 None
None
None
None
CA  A 202 (-3.0A)
 1.49A 3u40D-2hq8A:
undetectable
3u40E-2hq8A:
undetectable		 3u40D-2hq8A:
21.37
3u40E-2hq8A:
21.37
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.
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)
 0.51A 3u40D-3bjeA:
29.1
3u40E-3bjeA:
27.9		 3u40D-3bjeA:
23.61
3u40E-3bjeA:
23.61
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.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		7 SER A  75
GLY A  77
VAL A 170
GLU A 171
MET A 172
GLU A 173
ASP A 196
 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)
FMC  A 229 (-3.0A)
 0.41A 3u40D-3bl6A:
24.9
3u40E-3bl6A:
24.4		 3u40D-3bl6A:
27.95
3u40E-3bl6A:
27.95
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) 		7 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
ASP A 198
 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)
BIG  A 301 (-2.9A)
 0.49A 3u40D-3dp9A:
24.3
3u40E-3dp9A:
24.0		 3u40D-3dp9A:
25.98
3u40E-3dp9A:
25.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		7 SER A  79
GLY A  81
VAL A 175
GLU A 176
MET A 177
GLU A 178
ASP A 201
 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)
MTM  A 234 (-3.0A)
 0.48A 3u40D-3eeiA:
24.2
3u40E-3eeiA:
23.8		 3u40D-3eeiA:
26.25
3u40E-3eeiA:
26.25
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
 0.42A 3u40D-3emvA:
32.1
3u40E-3emvA:
31.4		 3u40D-3emvA:
30.97
3u40E-3emvA:
30.97
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.
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)
 0.34A 3u40D-3eufA:
24.1
3u40E-3eufA:
23.3		 3u40D-3eufA:
27.00
3u40E-3eufA:
27.00
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.
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)
 0.37A 3u40D-3kvyA:
24.6
3u40E-3kvyA:
23.7		 3u40D-3kvyA:
27.36
3u40E-3kvyA:
27.36
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.
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
 1.48A 3u40D-3lifA:
undetectable
3u40E-3lifA:
undetectable		 3u40D-3lifA:
22.34
3u40E-3lifA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
ASP A 197
 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)
4CT  A 233 (-2.9A)
 0.38A 3u40D-3o4vA:
24.2
3u40E-3o4vA:
23.7		 3u40D-3o4vA:
26.46
3u40E-3o4vA:
26.46
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 GLY A 191
VAL A 192
GLU A 193
MET A 194
GLU A 195
 None
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
 1.45A 3u40D-3of3A:
36.3
3u40E-3of3A:
35.7		 3u40D-3of3A:
46.12
3u40E-3of3A:
46.12
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) 		9 MET A  78
ARG A 101
SER A 104
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)
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)
DIH  A 500 (-3.1A)
 0.45A 3u40D-3of3A:
36.3
3u40E-3of3A:
35.7		 3u40D-3of3A:
46.12
3u40E-3of3A:
46.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.35A 3u40D-3p0fA:
23.8
3u40E-3p0fA:
23.1		 3u40D-3p0fA:
24.00
3u40E-3p0fA:
24.00
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.
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)
 0.47A 3u40D-3qpbA:
31.2
3u40E-3qpbA:
31.3		 3u40D-3qpbA:
29.79
3u40E-3qpbA:
29.79
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.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 HIS A   5
ARG A 494
ARG A 486
SER A 481
ASP A 131
 None
 1.31A 3u40D-3rcnA:
undetectable
3u40E-3rcnA:
undetectable		 3u40D-3rcnA:
17.88
3u40E-3rcnA:
17.88
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
GLU A 183
MET A 184
GLU A 185
ASP A 208
 None
SO4  A 239 (-3.2A)
SO4  A 239 (-3.4A)
None
None
None
SO4  A 239 ( 4.4A)
None
 0.63A 3u40D-3tl6A:
42.7
3u40E-3tl6A:
42.1		 3u40D-3tl6A:
100.00
3u40E-3tl6A:
100.00
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) 		9 MET A  69
ARG A  92
SER A  95
GLY A  97
VAL A 182
GLU A 183
MET A 184
GLU A 185
CYH A 210
 None
SO4  A 239 (-3.2A)
SO4  A 239 (-3.4A)
None
None
None
None
SO4  A 239 ( 4.4A)
None
 0.28A 3u40D-3tl6A:
42.7
3u40E-3tl6A:
42.1		 3u40D-3tl6A:
100.00
3u40E-3tl6A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr1 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Coxiella
burnetii) 		PF00275
(EPSP_synthase) 		5 HIS A 196
ARG A 194
ARG A 387
GLY A  19
GLU A 316
 PO4  A 442 ( 4.9A)
PO4  A 442 ( 3.4A)
PO4  A 439 (-3.8A)
None
None
 1.41A 3u40D-3tr1A:
undetectable
3u40E-3tr1A:
undetectable		 3u40D-3tr1A:
21.71
3u40E-3tr1A:
21.71
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)
 1.38A 3u40D-3uavA:
36.2
3u40E-3uavA:
35.5		 3u40D-3uavA:
45.27
3u40E-3uavA:
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) 		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)
 0.44A 3u40D-3uavA:
36.2
3u40E-3uavA:
35.5		 3u40D-3uavA:
45.27
3u40E-3uavA:
45.27
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
 1.41A 3u40D-4daoA:
22.7
3u40E-4daoA:
34.9		 3u40D-4daoA:
43.31
3u40E-4daoA:
43.31
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) 		9 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
 0.61A 3u40D-4daoA:
22.7
3u40E-4daoA:
34.9		 3u40D-4daoA:
43.31
3u40E-4daoA:
43.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jn7 ENOLASE

(Agrobacterium
tumefaciens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A   7
VAL A 365
GLU A 366
MET A 367
ASP A  95
 None
 1.33A 3u40D-4jn7A:
undetectable
3u40E-4jn7A:
undetectable		 3u40D-4jn7A:
21.75
3u40E-4jn7A:
21.75
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.
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)
 0.45A 3u40D-4josA:
23.2
3u40E-4josA:
23.0		 3u40D-4josA:
25.00
3u40E-4josA:
25.00
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.
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)
 0.43A 3u40D-4jwtA:
23.0
3u40E-4jwtA:
22.8		 3u40D-4jwtA:
23.64
3u40E-4jwtA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		6 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.0A)
 0.45A 3u40D-4l0mA:
22.9
3u40E-4l0mA:
22.3		 3u40D-4l0mA:
22.26
3u40E-4l0mA:
22.26
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)
 1.37A 3u40D-4ldnA:
36.5
3u40E-4ldnA:
35.4		 3u40D-4ldnA:
40.56
3u40E-4ldnA:
40.56
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)
 1.43A 3u40D-4ldnA:
36.5
3u40E-4ldnA:
35.4		 3u40D-4ldnA:
40.56
3u40E-4ldnA:
40.56
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 MET A  65
ARG A  88
SER A  91
GLU A 180
GLU A 182
ASP A 205
 None
PO4  A 301 (-2.9A)
PO4  A 301 (-3.0A)
None
PO4  A 301 ( 4.7A)
None
 0.95A 3u40D-4ldnA:
36.5
3u40E-4ldnA:
35.4		 3u40D-4ldnA:
40.56
3u40E-4ldnA:
40.56
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)
 0.55A 3u40D-4ldnA:
36.5
3u40E-4ldnA:
35.4		 3u40D-4ldnA:
40.56
3u40E-4ldnA:
40.56
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 ARG A  24
ARG A  87
SER A  90
GLY A  92
CYH A 206
 None
 1.38A 3u40D-4lkrA:
35.6
3u40E-4lkrA:
34.9		 3u40D-4lkrA:
42.57
3u40E-4lkrA:
42.57
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) 		7 MET A  64
ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
CYH A 206
 None
 0.57A 3u40D-4lkrA:
35.6
3u40E-4lkrA:
34.9		 3u40D-4lkrA:
42.57
3u40E-4lkrA:
42.57
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.
4lna PURINE NUCLEOSIDE
PHOSPHORYLASE

(Spirosoma
linguale) 		PF01048
(PNP_UDP_1) 		5 GLY A 113
VAL A 208
MET A 210
ASP A 234
CYH A 236
 ADE  A 502 (-3.6A)
ADE  A 502 (-4.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-2.9A)
ADE  A 502 (-3.4A)
 0.43A 3u40D-4lnaA:
20.6
3u40E-4lnaA:
20.2		 3u40D-4lnaA:
21.81
3u40E-4lnaA:
21.81
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.
4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE

(Planctopirus
limnophila) 		PF01048
(PNP_UDP_1) 		5 GLY A 116
VAL A 210
MET A 212
ASP A 236
CYH A 238
 ADE  A 401 (-3.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-4.2A)
ADE  A 401 (-3.0A)
ADE  A 401 (-3.4A)
 0.42A 3u40D-4m1eA:
20.2
3u40E-4m1eA:
19.8		 3u40D-4m1eA:
22.46
3u40E-4m1eA:
22.46
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) 		5 MET A  64
ARG A  87
GLU A 179
MET A 180
GLU A 181
 None
 0.75A 3u40D-4m3nA:
37.2
3u40E-4m3nA:
36.2		 3u40D-4m3nA:
47.15
3u40E-4m3nA:
47.15
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
 0.34A 3u40D-4m3nA:
37.2
3u40E-4m3nA:
36.2		 3u40D-4m3nA:
47.15
3u40E-4m3nA:
47.15
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
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
ASP A 205
 None
PO4  A 400 (-3.0A)
None
None
None
None
PO4  A 400 ( 4.4A)
None
 0.55A 3u40D-4m7wA:
37.3
3u40E-4m7wA:
36.3		 3u40D-4m7wA:
46.80
3u40E-4m7wA:
46.80
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.
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)
 0.66A 3u40D-4mchA:
32.0
3u40E-4mchA:
30.8		 3u40D-4mchA:
26.84
3u40E-4mchA:
26.84
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.12A 3u40D-4o7hA:
undetectable
3u40E-4o7hA:
undetectable		 3u40D-4o7hA:
21.40
3u40E-4o7hA:
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.
4oua LATENT FORM OF PPO4
TYROSINASE
PROTEOLYTICALLY
ACTIVATED FORM OF
PPO4 TYROSINASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		5 ARG A  34
ARG A 163
GLY B   8
VAL B   7
GLU B 331
 None
None
NA  B 605 ( 3.9A)
None
None
 1.46A 3u40D-4ouaA:
undetectable
3u40E-4ouaA:
undetectable		 3u40D-4ouaA:
19.12
3u40E-4ouaA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		6 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-2.8A)
 0.51A 3u40D-4pr3A:
9.0
3u40E-4pr3A:
8.9		 3u40D-4pr3A:
25.10
3u40E-4pr3A:
25.10
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.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 7 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
ASP B 198
 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)
ADE  B 301 (-2.4A)
 0.64A 3u40D-4qezB:
23.1
3u40E-4qezB:
22.6		 3u40D-4qezB:
26.07
3u40E-4qezB:
26.07
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.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 5 GLY A  74
VAL A 135
MET A 137
GLU A 138
ASP A 161
 None
 0.47A 3u40D-4qfbA:
17.9
3u40E-4qfbA:
17.1		 3u40D-4qfbA:
26.10
3u40E-4qfbA:
26.10
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.
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)
 1.23A 3u40D-4r2wA:
29.9
3u40E-4r2wA:
30.3		 3u40D-4r2wA:
27.69
3u40E-4r2wA:
27.69
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.
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)
 0.27A 3u40D-4r2wA:
29.9
3u40E-4r2wA:
30.3		 3u40D-4r2wA:
27.69
3u40E-4r2wA:
27.69
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)
 0.47A 3u40D-4tymA:
36.3
3u40E-4tymA:
35.6		 3u40D-4tymA:
41.63
3u40E-4tymA:
41.63
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.
4x36 AUTOLYSIN

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1)
PF01510
(Amidase_2) 		5 SER A  91
GLY A  57
VAL A  35
GLU A  38
CYH A  60
 None
None
None
GOL  A 402 (-3.0A)
None
 1.41A 3u40D-4x36A:
undetectable
3u40E-4x36A:
undetectable		 3u40D-4x36A:
18.77
3u40E-4x36A:
18.77
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-2.9A)
 0.42A 3u40D-5dk6A:
23.2
3u40E-5dk6A:
22.9		 3u40D-5dk6A:
28.42
3u40E-5dk6A:
28.42
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.
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)
 0.31A 3u40D-5k1zA:
24.2
3u40E-5k1zA:
23.8		 3u40D-5k1zA:
27.44
3u40E-5k1zA:
27.44
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.
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)
 0.30A 3u40D-5lhvA:
30.4
3u40E-5lhvA:
29.7		 3u40D-5lhvA:
26.79
3u40E-5lhvA:
26.79
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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
ASP A 198
 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)
9DA  A 301 (-2.8A)
 0.58A 3u40D-5ue1A:
24.4
3u40E-5ue1A:
23.9		 3u40D-5ue1A:
25.38
3u40E-5ue1A:
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.
5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN

(Vibrio
vulnificus) 		no annotation 5 ARG A4001
GLY A3903
VAL A3901
GLU A3900
GLU A3930
 ARG  A4001 ( 0.6A)
GLY  A3903 ( 0.0A)
VAL  A3901 ( 0.6A)
GLU  A3900 ( 0.6A)
GLU  A3930 ( 0.6A)
 1.46A 3u40D-5w6lA:
undetectable
3u40E-5w6lA:
undetectable		 3u40D-5w6lA:
17.41
3u40E-5w6lA:
17.41
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.
5znn SORTILIN

(Mus musculus) 		no annotation 5 ARG A 165
SER A 136
GLY A 188
VAL A 186
GLU A 185
 None
None
None
NA  A 808 (-3.7A)
NA  A 808 (-3.4A)
 1.47A 3u40D-5znnA:
undetectable
3u40E-5znnA:
undetectable		 3u40D-5znnA:
undetectable
3u40E-5znnA:
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 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)
 0.30A 3u40D-6g7xA:
36.8
3u40E-6g7xA:
35.9		 3u40D-6g7xA:
undetectable
3u40E-6g7xA:
undetectable