SIMILAR PATTERNS OF AMINO ACIDS FOR 1PK9_B_2FAB307_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
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
GLU A 180
MET A 181
GLU A 182
SER A 204
 SO4  A 250 ( 3.1A)
FMB  A 270 (-3.3A)
FMB  A 270 (-4.6A)
FMB  A 270 (-3.8A)
FMB  A 270 (-2.8A)
FMB  A 270 (-3.2A)
 0.64A 1pk9B-1jdzA:
33.8		 1pk9B-1jdzA:
32.64
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
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 ADN  A1237 (-4.1A)
SO4  A1236 ( 2.8A)
ADN  A1237 (-3.4A)
ADN  A1237 (-4.9A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
ADN  A1237 ( 3.7A)
 0.42A 1pk9B-1odiA:
35.1		 1pk9B-1odiA:
35.17
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.
1rx0 ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 8,
MITOCHONDRIAL

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 SER A 218
GLY A 215
GLU A  49
SER A  96
ASP A 368
 None
 1.20A 1pk9B-1rx0A:
undetectable		 1pk9B-1rx0A:
19.95
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.
1t8w AMP NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1)
PF10423
(AMNp_N) 		5 GLY A 307
MET A 404
GLU A 405
SER A 427
ASP A 428
 None
 0.47A 1pk9B-1t8wA:
24.4		 1pk9B-1t8wA:
19.05
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
GLU A 179
MET A 180
GLU A 181
SER A 203
 2FD  A 300 (-3.8A)
2FD  A 300 ( 4.5A)
2FD  A 300 (-3.1A)
None
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
2FD  A 300 (-3.6A)
 0.33A 1pk9B-1z34A:
38.8		 1pk9B-1z34A:
58.72
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.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
ASP A 197
 MTM  A 301 (-3.1A)
MTM  A 301 (-3.6A)
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
MTM  A 301 (-3.4A)
MTM  A 301 (-2.9A)
 0.56A 1pk9B-1zosA:
22.7		 1pk9B-1zosA:
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.
2bsx PURINE NUCLEOSIDE
PHOSPHORYLASE

(Plasmodium
falciparum) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
SER A  91
GLY A  93
GLU A 182
MET A 183
GLU A 184
 NOS  A1248 ( 4.5A)
NOS  A1248 (-2.9A)
NOS  A1248 (-4.0A)
None
NOS  A1248 (-3.4A)
NOS  A1248 (-3.1A)
 0.49A 1pk9B-2bsxA:
32.2		 1pk9B-2bsxA:
28.02
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.
3b4v FOLLISTATIN-LIKE 3

(Homo sapiens) 		PF07648
(Kazal_2)
PF09289
(FOLN) 		5 SER C 134
GLY C 110
GLU C 119
SER C 111
ASP C 112
 None
 1.50A 1pk9B-3b4vC:
undetectable		 1pk9B-3b4vC:
20.23
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.
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)
 0.31A 1pk9B-3bjeA:
28.6		 1pk9B-3bjeA:
26.05
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
GLY A 142
GLU A 284
MET A 285
GLU A 286
SER A 309
 R1P  A 401 ( 3.9A)
URA  A 501 (-3.4A)
R1P  A 401 ( 4.6A)
R1P  A 401 ( 3.9A)
R1P  A 401 (-2.6A)
URA  A 501 (-3.2A)
 1.03A 1pk9B-3bjeA:
28.6		 1pk9B-3bjeA:
26.05
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
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 FMC  A 229 (-3.0A)
FMC  A 229 (-3.6A)
FMC  A 229 (-4.7A)
FMC  A 229 (-3.5A)
FMC  A 229 (-2.5A)
FMC  A 229 (-3.5A)
FMC  A 229 (-3.0A)
 0.50A 1pk9B-3bl6A:
24.4		 1pk9B-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.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
GLU A 173
MET A 174
GLU A 175
SER A 197
ASP A 198
 BIG  A 301 (-3.3A)
BIG  A 301 (-3.7A)
None
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
BIG  A 301 (-3.3A)
BIG  A 301 (-2.9A)
 0.47A 1pk9B-3dp9A:
23.9		 1pk9B-3dp9A:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		7 SER A  79
GLY A  81
GLU A 176
MET A 177
GLU A 178
SER A 200
ASP A 201
 MTM  A 234 (-3.1A)
MTM  A 234 (-3.9A)
MTM  A 234 (-4.6A)
MTM  A 234 (-3.8A)
MTM  A 234 (-2.6A)
MTM  A 234 (-3.4A)
MTM  A 234 (-3.0A)
 0.52A 1pk9B-3eeiA:
23.9		 1pk9B-3eeiA:
26.17
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		6 ARG A  89
SER A  92
GLY A  94
GLU A 183
MET A 184
GLU A 185
 SO4  A 254 (-3.2A)
SO4  A 254 (-3.2A)
None
None
None
None
 0.23A 1pk9B-3emvA:
32.4		 1pk9B-3emvA:
29.30
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		5 GLY A  94
GLU A 183
MET A 184
GLU A 185
ASP A 207
 None
 1.33A 1pk9B-3emvA:
32.4		 1pk9B-3emvA:
29.30
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.
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)
 0.30A 1pk9B-3eufA:
25.2		 1pk9B-3eufA:
26.32
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.
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)
 0.30A 1pk9B-3kvyA:
25.4		 1pk9B-3kvyA:
26.03
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.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
ASP A 197
 4CT  A 233 (-3.2A)
4CT  A 233 (-3.8A)
None
4CT  A 233 (-3.6A)
4CT  A 233 (-3.0A)
4CT  A 233 (-3.3A)
4CT  A 233 (-2.9A)
 0.44A 1pk9B-3o4vA:
24.0		 1pk9B-3o4vA:
24.14
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 101
GLY A 191
GLU A 193
MET A 194
GLU A 195
 PO4  A 501 (-2.8A)
None
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
 1.12A 1pk9B-3of3A:
40.2		 1pk9B-3of3A:
80.17
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
GLU A 193
MET A 194
GLU A 195
SER A 217
ASP A 218
 DIH  A 500 (-3.6A)
PO4  A 501 (-2.8A)
PO4  A 501 ( 2.7A)
DIH  A 500 (-4.0A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
DIH  A 500 (-3.3A)
DIH  A 500 (-3.1A)
 0.40A 1pk9B-3of3A:
40.2		 1pk9B-3of3A:
80.17
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.
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
 0.29A 1pk9B-3p0fA:
25.0		 1pk9B-3p0fA:
24.68
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) 		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)
 0.34A 1pk9B-3qpbA:
32.0		 1pk9B-3qpbA:
31.29
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.
3sek FOLLISTATIN-RELATED
PROTEIN 3

(Homo sapiens) 		PF07648
(Kazal_2)
PF09289
(FOLN) 		5 SER C 134
GLY C 110
GLU C 119
SER C 111
ASP C 112
 None
 1.38A 1pk9B-3sekC:
undetectable		 1pk9B-3sekC:
19.42
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
GLU A 183
MET A 184
GLU A 185
SER A 207
ASP A 208
 None
SO4  A 239 (-3.2A)
SO4  A 239 (-3.4A)
None
None
None
SO4  A 239 ( 4.4A)
None
None
 0.67A 1pk9B-3tl6A:
35.8		 1pk9B-3tl6A:
48.35
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
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
SO4  A 236 (-2.7A)
None
None
None
SO4  A 236 ( 4.4A)
None
 0.53A 1pk9B-3uavA:
37.4		 1pk9B-3uavA:
55.74
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.
3zyj LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4C
NETRIN-G1

(Homo sapiens) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N)
PF00560
(LRR_1)
PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 MET B  82
ARG A 156
GLY A 228
GLU A 181
SER A 227
 None
 1.24A 1pk9B-3zyjB:
undetectable		 1pk9B-3zyjB:
19.39
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) 		5 ARG A  87
GLY A 176
GLU A 178
MET A 179
GLU A 180
 None
None
None
ADE  A 301 ( 4.3A)
None
 1.01A 1pk9B-4daoA:
37.2		 1pk9B-4daoA:
53.15
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
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.50A 1pk9B-4daoA:
37.2		 1pk9B-4daoA:
53.15
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.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.72A 1pk9B-4g41A:
24.6		 1pk9B-4g41A:
25.09
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) 		6 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.51A 1pk9B-4josA:
23.6		 1pk9B-4josA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE

(Sulfurimonas
denitrificans) 		PF01048
(PNP_UDP_1) 		6 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
ADE  A 305 (-2.8A)
 0.54A 1pk9B-4jwtA:
23.2		 1pk9B-4jwtA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kn5 METHYLTHIOADENOSINE
NUCLEOSIDASE

(Weissella
paramesenteroides) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
GLU A 173
MET A 174
GLU A 175
SER A 197
 None
EDO  A 301 (-3.3A)
None
None
None
None
 0.72A 1pk9B-4kn5A:
23.5		 1pk9B-4kn5A:
25.75
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.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		6 SER A  79
GLY A  81
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.37A 1pk9B-4l0mA:
22.9		 1pk9B-4l0mA:
24.91
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
GLU A 180
MET A 181
GLU A 182
 PO4  A 301 (-2.9A)
None
None
None
PO4  A 301 ( 4.7A)
 1.16A 1pk9B-4ldnA:
38.2		 1pk9B-4ldnA:
52.87
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
SER A  91
GLU A 180
MET A 181
GLU A 182
ASP A 205
 None
PO4  A 301 (-2.9A)
PO4  A 301 (-3.0A)
None
None
PO4  A 301 ( 4.7A)
None
 0.79A 1pk9B-4ldnA:
38.2		 1pk9B-4ldnA:
52.87
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
SER A  91
GLY A  93
GLU A 180
MET A 181
GLU A 182
 None
PO4  A 301 (-2.9A)
PO4  A 301 (-3.0A)
None
None
None
PO4  A 301 ( 4.7A)
 0.30A 1pk9B-4ldnA:
38.2		 1pk9B-4ldnA:
52.87
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
GLU A 181
SER A 203
ASP A 204
 None
 0.90A 1pk9B-4lkrA:
38.5		 1pk9B-4lkrA:
50.00
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
SER A 203
 None
 0.45A 1pk9B-4lkrA:
38.5		 1pk9B-4lkrA:
50.00
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
 0.80A 1pk9B-4m3nA:
38.0		 1pk9B-4m3nA:
52.16
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
GLU A 179
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
 0.82A 1pk9B-4m3nA:
38.0		 1pk9B-4m3nA:
52.16
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
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
 0.39A 1pk9B-4m3nA:
38.0		 1pk9B-4m3nA:
52.16
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
GLU A 180
MET A 181
GLU A 182
SER A 204
ASP A 205
 None
PO4  A 400 (-3.0A)
None
None
None
PO4  A 400 ( 4.4A)
None
None
 0.30A 1pk9B-4m7wA:
39.8		 1pk9B-4m7wA:
51.16
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.
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)
 0.54A 1pk9B-4mchA:
32.0		 1pk9B-4mchA:
25.82
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		6 SER A  65
GLY A  67
MET A 144
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.50A 1pk9B-4pr3A:
14.9		 1pk9B-4pr3A:
23.16
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.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 7 SER B  76
GLY B  78
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.38A 1pk9B-4qezB:
22.9		 1pk9B-4qezB:
25.57
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.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 5 GLY A  74
MET A 137
GLU A 138
SER A 160
ASP A 161
 None
 0.51A 1pk9B-4qfbA:
17.3		 1pk9B-4qfbA:
20.16
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
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)
 0.28A 1pk9B-4r2wA:
31.0		 1pk9B-4r2wA:
31.03
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
GLY A 114
GLU A 201
MET A 202
GLU A 203
SER A 225
 None
SO4  A 301 (-2.8A)
None
None
None
SO4  A 301 ( 4.4A)
None
 0.41A 1pk9B-4tymA:
38.3		 1pk9B-4tymA:
44.91
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
MET A 202
GLU A 203
SER A 225
ASP A 226
 None
SO4  A 301 (-2.8A)
None
SO4  A 301 ( 4.4A)
None
None
 0.76A 1pk9B-4tymA:
38.3		 1pk9B-4tymA:
44.91
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 SER A 319
GLY A 322
GLU A 320
SER A 324
ASP A 327
 None
 1.43A 1pk9B-4umvA:
2.2		 1pk9B-4umvA:
16.25
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.
5b7n MTA/SAH NUCLEOSIDASE

(Aeromonas
hydrophila) 		PF01048
(PNP_UDP_1) 		5 GLY A 106
GLU A 219
MET A 220
GLU A 221
SER A 243
 SAH  A 301 (-3.2A)
SAH  A 301 (-4.9A)
SAH  A 301 (-3.6A)
SAH  A 301 (-2.6A)
SAH  A 301 ( 4.0A)
 0.38A 1pk9B-5b7nA:
23.5		 1pk9B-5b7nA:
24.73
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.43A 1pk9B-5dk6A:
23.8		 1pk9B-5dk6A:
22.39
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.
5f83 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 MET A 164
GLY A 128
GLU A 163
SER A 100
ASP A 126
 IM2  A 301 ( 4.6A)
None
None
None
None
 1.49A 1pk9B-5f83A:
undetectable		 1pk9B-5f83A:
23.39
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.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		6 GLY A  80
GLU A 173
MET A 174
GLU A 175
SER A 197
ASP A 198
 4CT  A 301 (-3.4A)
None
4CT  A 301 (-3.0A)
4CT  A 301 (-2.2A)
4CT  A 301 ( 2.8A)
4CT  A 301 (-2.2A)
 0.43A 1pk9B-5k1zA:
24.0		 1pk9B-5k1zA:
25.50
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
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)
 0.23A 1pk9B-5lhvA:
31.9		 1pk9B-5lhvA:
31.70
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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		7 SER A  76
GLY A  78
GLU A 173
MET A 174
GLU A 175
SER A 197
ASP A 198
 TRS  A 302 (-2.8A)
9DA  A 301 (-3.5A)
TRS  A 302 ( 4.6A)
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
9DA  A 301 (-3.2A)
9DA  A 301 (-2.8A)
 0.45A 1pk9B-5ue1A:
24.1		 1pk9B-5ue1A:
23.14
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.
6g7x -

(-) 		no annotation 7 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.51A 1pk9B-6g7xA:
38.3		 1pk9B-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 6 MET A  64
ARG A  87
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
PO4  A 304 ( 4.4A)
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
None
 0.92A 1pk9B-6g7xA:
38.3		 1pk9B-6g7xA:
undetectable