SIMILAR PATTERNS OF AMINO ACIDS FOR 4DA6_A_GA2A301_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.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 SER A 122
GLU A 116
SER A  74
ASP A  72
VAL A  45
 None
None
NAD  A1268 ( 4.7A)
NAD  A1268 (-3.5A)
NAD  A1268 (-3.9A)
 1.28A 4da6A-1iy8A:
2.0		 4da6A-1iy8A:
21.66
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) 		5 GLY A  91
VAL A 179
MET A 181
GLU A 182
ASP A 205
 FMB  A 270 (-3.3A)
FMB  A 270 (-4.6A)
FMB  A 270 (-3.8A)
FMB  A 270 (-2.8A)
None
 0.60A 4da6A-1jdzA:
32.7		 4da6A-1jdzA:
31.01
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) 		5 GLY A  91
VAL A 179
MET A 181
GLU A 182
SER A 204
 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)
 0.67A 4da6A-1jdzA:
32.7		 4da6A-1jdzA:
31.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l6w FRUCTOSE-6-PHOSPHATE
ALDOLASE 1

(Escherichia
coli) 		PF00923
(TAL_FSA) 		5 GLY A 142
VAL A 146
SER A 141
ASP A 136
VAL A 132
 None
 1.29A 4da6A-1l6wA:
undetectable		 4da6A-1l6wA:
21.85
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) 		5 MET A  65
GLY A  92
MET A 180
GLU A 181
SER A 203
 ADN  A1237 (-4.1A)
ADN  A1237 (-3.4A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
ADN  A1237 ( 3.7A)
 0.71A 4da6A-1odiA:
35.2		 4da6A-1odiA:
36.22
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) 		7 MET A  64
SER A  90
GLY A  92
MET A 180
GLU A 181
SER A 203
ASP A 204
 2FA  A 306 (-3.6A)
PO4  A 309 ( 2.7A)
2FA  A 306 (-3.5A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
2FA  A 306 ( 3.9A)
2FA  A 306 (-3.1A)
 0.81A 4da6A-1pk9A:
36.7		 4da6A-1pk9A:
53.15
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) 		7 MET A  64
SER A  90
GLY A  92
VAL A 178
MET A 180
GLU A 181
ASP A 204
 2FA  A 306 (-3.6A)
PO4  A 309 ( 2.7A)
2FA  A 306 (-3.5A)
2FA  A 306 (-4.8A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
2FA  A 306 (-3.1A)
 0.69A 4da6A-1pk9A:
36.7		 4da6A-1pk9A:
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.
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
 0.74A 4da6A-1t8wA:
23.6		 4da6A-1t8wA:
20.37
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.
1ve4 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF01634
(HisG) 		5 GLY A  72
VAL A  71
SER A 175
ASP A  74
VAL A  75
 None
 1.36A 4da6A-1ve4A:
undetectable		 4da6A-1ve4A:
24.22
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.
1wls L-ASPARAGINASE

(Pyrococcus
horikoshii) 		PF00710
(Asparaginase) 		5 GLY A 213
VAL A 216
SER A 212
ASP A 243
VAL A 247
 None
 1.46A 4da6A-1wlsA:
4.0		 4da6A-1wlsA:
22.92
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.
1z0v PUTATIVE PROTEASE LA
HOMOLOG TYPE

(Archaeoglobus
fulgidus) 		PF05362
(Lon_C) 		5 SER A 513
GLY A 535
SER A 511
ASP A 508
VAL A 546
 None
 1.22A 4da6A-1z0vA:
undetectable		 4da6A-1z0vA:
23.66
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) 		5 MET A  64
GLY A  92
MET A 180
GLU A 181
SER A 203
 2FD  A 300 (-3.8A)
2FD  A 300 (-3.1A)
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
2FD  A 300 (-3.6A)
 0.60A 4da6A-1z34A:
36.3		 4da6A-1z34A:
46.51
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) 		5 MET A  64
GLY A  92
VAL A 178
MET A 180
GLU A 181
 2FD  A 300 (-3.8A)
2FD  A 300 (-3.1A)
2FD  A 300 (-4.7A)
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
 0.36A 4da6A-1z34A:
36.3		 4da6A-1z34A:
46.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
MET A 173
GLU A 174
SER A 196
 MTM  A 301 (-3.1A)
MTM  A 301 (-3.6A)
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
MTM  A 301 (-3.4A)
 0.60A 4da6A-1zosA:
22.4		 4da6A-1zosA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
VAL A 171
MET A 173
GLU A 174
 MTM  A 301 (-3.1A)
MTM  A 301 (-3.6A)
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
 0.62A 4da6A-1zosA:
22.4		 4da6A-1zosA:
24.06
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) 		5 SER A  91
GLY A  93
VAL A 181
MET A 183
GLU A 184
 NOS  A1248 (-2.9A)
NOS  A1248 (-4.0A)
NOS  A1248 ( 4.4A)
NOS  A1248 (-3.4A)
NOS  A1248 (-3.1A)
 0.48A 4da6A-2bsxA:
31.2		 4da6A-2bsxA:
23.81
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.
2gez L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT

(Lupinus luteus) 		PF01112
(Asparaginase_2) 		5 SER B 207
GLY B 195
VAL A  56
SER B 241
VAL B 194
 None
 1.18A 4da6A-2gezB:
undetectable		 4da6A-2gezB:
19.16
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE

(Enterovirus C) 		PF00548
(Peptidase_C3)
PF00680
(RdRP_1) 		5 GLY 1 300
VAL 1 304
MET 1 306
SER 1 363
VAL 1 338
 None
 1.37A 4da6A-2ijd1:
undetectable		 4da6A-2ijd1:
17.31
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.
2rbc SUGAR KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 GLY A  68
VAL A  92
MET A  90
SER A  98
ASP A  70
 None
 1.24A 4da6A-2rbcA:
undetectable		 4da6A-2rbcA:
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.
3a2b SERINE
PALMITOYLTRANSFERASE

(Sphingobacterium
multivorum) 		PF00155
(Aminotran_1_2) 		5 GLY A 182
VAL A 191
GLU A 323
ASP A 211
VAL A 209
 None
 1.08A 4da6A-3a2bA:
undetectable		 4da6A-3a2bA:
22.53
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.
3a2b SERINE
PALMITOYLTRANSFERASE

(Sphingobacterium
multivorum) 		PF00155
(Aminotran_1_2) 		5 GLY A 182
VAL A 191
SER A 214
ASP A 211
VAL A 209
 None
 0.67A 4da6A-3a2bA:
undetectable		 4da6A-3a2bA:
22.53
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 MET A  66
GLY A  71
VAL A  94
SER A 100
ASP A  74
 None
 1.17A 4da6A-3b1rA:
undetectable		 4da6A-3b1rA:
23.88
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.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 GLY A 811
VAL A 814
SER A 809
ASP A 799
VAL A 831
 None
 1.36A 4da6A-3bg9A:
undetectable		 4da6A-3bg9A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		5 MET A  87
GLY A 142
MET A 285
GLU A 286
SER A 309
 R1P  A 401 ( 3.9A)
URA  A 501 (-3.4A)
R1P  A 401 ( 3.9A)
R1P  A 401 (-2.6A)
URA  A 501 (-3.2A)
 1.09A 4da6A-3bjeA:
27.8		 4da6A-3bjeA:
27.25
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.
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
MET A 172
GLU A 173
SER A 195
 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)
 0.67A 4da6A-3bl6A:
24.6		 4da6A-3bl6A:
23.10
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 MET A 490
GLY A 495
SER A 589
ASP A 212
VAL A 216
 None
 1.04A 4da6A-3cf4A:
undetectable		 4da6A-3cf4A:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
MET A 174
GLU A 175
SER A 197
 BIG  A 301 (-3.3A)
BIG  A 301 (-3.7A)
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
BIG  A 301 (-3.3A)
 0.60A 4da6A-3dp9A:
23.8		 4da6A-3dp9A:
22.88
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.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
VAL A 172
MET A 174
GLU A 175
 BIG  A 301 (-3.3A)
BIG  A 301 (-3.7A)
BIG  A 301 (-4.9A)
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
 0.54A 4da6A-3dp9A:
23.8		 4da6A-3dp9A:
22.88
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.
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
MET A 177
GLU A 178
SER A 200
 MTM  A 234 (-3.1A)
MTM  A 234 (-3.9A)
MTM  A 234 ( 4.9A)
MTM  A 234 (-3.8A)
MTM  A 234 (-2.6A)
MTM  A 234 (-3.4A)
 0.65A 4da6A-3eeiA:
23.8		 4da6A-3eeiA:
24.62
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		5 SER A  79
GLY A  81
VAL A 175
SER A 200
ASP A 201
 MTM  A 234 (-3.1A)
MTM  A 234 (-3.9A)
MTM  A 234 ( 4.9A)
MTM  A 234 (-3.4A)
MTM  A 234 (-3.0A)
 0.94A 4da6A-3eeiA:
23.8		 4da6A-3eeiA:
24.62
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		5 SER A  92
GLY A  94
VAL A 182
MET A 184
GLU A 185
 SO4  A 254 (-3.2A)
None
None
None
None
 0.46A 4da6A-3emvA:
31.4		 4da6A-3emvA:
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.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		5 SER A   4
GLY A 176
VAL A 177
SER A   2
VAL A 339
 None
 1.41A 4da6A-3fv3A:
undetectable		 4da6A-3fv3A:
23.71
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.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 SER A 382
GLY A 178
SER A 177
ASP A 172
VAL A 170
 None
 1.33A 4da6A-3k4xA:
undetectable		 4da6A-3k4xA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 171
MET A 173
GLU A 174
SER A 196
 4CT  A 233 (-3.2A)
4CT  A 233 (-3.8A)
4CT  A 233 ( 4.9A)
4CT  A 233 (-3.6A)
4CT  A 233 (-3.0A)
4CT  A 233 (-3.3A)
 0.63A 4da6A-3o4vA:
23.7		 4da6A-3o4vA:
20.73
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.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
VAL A 171
SER A 196
ASP A 197
 4CT  A 233 (-3.2A)
4CT  A 233 (-3.8A)
4CT  A 233 ( 4.9A)
4CT  A 233 (-3.3A)
4CT  A 233 (-2.9A)
 0.94A 4da6A-3o4vA:
23.7		 4da6A-3o4vA:
20.73
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 106
VAL A 192
MET A 194
SER A 217
ASP A 218
 DIH  A 500 (-4.0A)
DIH  A 500 (-4.8A)
DIH  A 500 (-3.8A)
DIH  A 500 (-3.3A)
DIH  A 500 (-3.1A)
 0.95A 4da6A-3of3A:
36.0		 4da6A-3of3A:
50.97
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) 		7 MET A  78
SER A 104
GLY A 106
VAL A 192
MET A 194
GLU A 195
SER A 217
 DIH  A 500 (-3.6A)
PO4  A 501 ( 2.7A)
DIH  A 500 (-4.0A)
DIH  A 500 (-4.8A)
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
DIH  A 500 (-3.3A)
 0.68A 4da6A-3of3A:
36.0		 4da6A-3of3A:
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.
3qgm P-NITROPHENYL
PHOSPHATASE (PHO2)

(Archaeoglobus
fulgidus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 MET A 241
GLY A 208
VAL A 228
ASP A  11
VAL A  15
 None
None
None
CA  A 503 (-2.2A)
None
 1.42A 4da6A-3qgmA:
undetectable		 4da6A-3qgmA:
21.53
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) 		6 MET A  69
GLY A  97
MET A 184
GLU A 185
SER A 207
ASP A 208
 None
None
None
SO4  A 239 ( 4.4A)
None
None
 1.14A 4da6A-3tl6A:
35.2		 4da6A-3tl6A:
43.31
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) 		6 MET A  69
GLY A  97
VAL A 182
MET A 184
GLU A 185
ASP A 208
 None
None
None
None
SO4  A 239 ( 4.4A)
None
 0.97A 4da6A-3tl6A:
35.2		 4da6A-3tl6A:
43.31
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) 		6 MET A  69
SER A  95
GLY A  97
MET A 184
GLU A 185
SER A 207
 None
SO4  A 239 (-3.4A)
None
None
SO4  A 239 ( 4.4A)
None
 0.84A 4da6A-3tl6A:
35.2		 4da6A-3tl6A:
43.31
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) 		6 MET A  69
SER A  95
GLY A  97
VAL A 182
MET A 184
GLU A 185
 None
SO4  A 239 (-3.4A)
None
None
None
SO4  A 239 ( 4.4A)
 0.48A 4da6A-3tl6A:
35.2		 4da6A-3tl6A:
43.31
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 MET A  64
GLY A  92
VAL A 178
MET A 180
GLU A 181
 None
None
None
None
SO4  A 236 ( 4.4A)
 0.19A 4da6A-3uavA:
39.0		 4da6A-3uavA:
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.
3wi5 MAJOR OUTER MEMBRANE
PROTEIN P.IB

(Neisseria
meningitidis) 		PF00267
(Porin_1) 		5 GLY A 115
VAL A 116
GLU A 123
SER A 109
VAL A 271
 None
 1.23A 4da6A-3wi5A:
undetectable		 4da6A-3wi5A:
23.10
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.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		5 SER A 201
VAL A 216
SER A 196
ASP A 229
VAL A 228
 None
 1.46A 4da6A-3wxoA:
undetectable		 4da6A-3wxoA:
16.54
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
SER A  90
GLY A  92
VAL A 177
MET A 179
GLU A 180
ASP A 203
VAL A 205
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
 0.51A 4da6A-4daoA:
42.0		 4da6A-4daoA:
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) 		8 MET A  64
SER A  90
GLY A  92
VAL A 177
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.64A 4da6A-4daoA:
42.0		 4da6A-4daoA:
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.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLY A 167
VAL A 169
GLU A 333
SER A 165
ASP A 280
 AMP  A 601 ( 3.7A)
None
None
SO4  A 602 ( 4.4A)
None
 1.43A 4da6A-4ga6A:
4.4		 4da6A-4ga6A:
20.27
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.
4kn5 METHYLTHIOADENOSINE
NUCLEOSIDASE

(Weissella
paramesenteroides) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
GLU A 175
SER A 197
ASP A 198
 None
EDO  A 301 (-3.3A)
None
None
EDO  A 301 ( 4.4A)
 0.92A 4da6A-4kn5A:
22.6		 4da6A-4kn5A:
27.74
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.
4kn5 METHYLTHIOADENOSINE
NUCLEOSIDASE

(Weissella
paramesenteroides) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
MET A 174
GLU A 175
SER A 197
 None
EDO  A 301 (-3.3A)
None
None
None
 0.85A 4da6A-4kn5A:
22.6		 4da6A-4kn5A:
27.74
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.
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
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.91A 4da6A-4l0mA:
22.7		 4da6A-4l0mA:
27.46
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.
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
SER A 203
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
 0.66A 4da6A-4l0mA:
22.7		 4da6A-4l0mA:
27.46
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
SER A  91
GLY A  93
MET A 181
GLU A 182
ASP A 205
 None
PO4  A 301 (-3.0A)
None
None
PO4  A 301 ( 4.7A)
None
 1.07A 4da6A-4ldnA:
37.5		 4da6A-4ldnA:
50.94
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
SER A  91
GLY A  93
VAL A 179
MET A 181
GLU A 182
 None
PO4  A 301 (-3.0A)
None
None
None
PO4  A 301 ( 4.7A)
 0.52A 4da6A-4ldnA:
37.5		 4da6A-4ldnA:
50.94
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
SER A  90
GLY A  92
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
 0.85A 4da6A-4lkrA:
37.6		 4da6A-4lkrA:
49.43
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
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
 1.13A 4da6A-4m3nA:
39.2		 4da6A-4m3nA:
54.26
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
GLY A  92
VAL A 178
MET A 180
GLU A 181
 None
 0.44A 4da6A-4m3nA:
39.2		 4da6A-4m3nA:
54.26
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
GLY A  93
VAL A 179
MET A 181
GLU A 182
SER A 204
ASP A 205
 None
None
None
None
PO4  A 400 ( 4.4A)
None
None
 0.68A 4da6A-4m7wA:
38.4		 4da6A-4m7wA:
59.00
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.
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
SER A 167
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
 0.70A 4da6A-4pr3A:
15.3		 4da6A-4pr3A:
23.70
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.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 6 SER B  76
GLY B  78
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 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.76A 4da6A-4qezB:
23.0		 4da6A-4qezB:
24.30
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.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 6 SER B  76
GLY B  78
VAL B 172
MET B 174
GLU B 175
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-2.4A)
 0.86A 4da6A-4qezB:
23.0		 4da6A-4qezB:
24.30
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.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 5 GLY A  74
VAL A 135
MET A 137
GLU A 138
SER A 160
 None
 0.68A 4da6A-4qfbA:
18.0		 4da6A-4qfbA:
22.69
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.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 5 GLY A  74
VAL A 135
MET A 137
SER A 160
ASP A 161
 None
 1.06A 4da6A-4qfbA:
18.0		 4da6A-4qfbA:
22.69
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
GLY A 114
MET A 202
GLU A 203
SER A 225
ASP A 226
 None
None
None
SO4  A 301 ( 4.4A)
None
None
 0.97A 4da6A-4tymA:
37.8		 4da6A-4tymA:
52.29
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 177
MET A 179
GLU A 180
SER A 202
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.65A 4da6A-5dk6A:
23.1		 4da6A-5dk6A:
25.61
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
VAL A 177
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.86A 4da6A-5dk6A:
23.1		 4da6A-5dk6A:
25.61
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.
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 4da6A-5f83A:
undetectable		 4da6A-5f83A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		5 GLY A  80
VAL A 172
MET A 174
GLU A 175
SER A 197
 4CT  A 301 (-3.4A)
4CT  A 301 ( 4.5A)
4CT  A 301 (-3.0A)
4CT  A 301 (-2.2A)
4CT  A 301 ( 2.8A)
 0.61A 4da6A-5k1zA:
24.6		 4da6A-5k1zA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		5 GLY A  80
VAL A 172
MET A 174
SER A 197
ASP A 198
 4CT  A 301 (-3.4A)
4CT  A 301 ( 4.5A)
4CT  A 301 (-3.0A)
4CT  A 301 ( 2.8A)
4CT  A 301 (-2.2A)
 0.90A 4da6A-5k1zA:
24.6		 4da6A-5k1zA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
MET A 174
GLU A 175
SER A 197
 TRS  A 302 (-2.8A)
9DA  A 301 (-3.5A)
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
9DA  A 301 (-3.2A)
 0.60A 4da6A-5ue1A:
23.8		 4da6A-5ue1A:
22.05
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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
VAL A 172
MET A 174
GLU A 175
 TRS  A 302 (-2.8A)
9DA  A 301 (-3.5A)
None
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
 0.65A 4da6A-5ue1A:
23.8		 4da6A-5ue1A:
22.05
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.
5v12 HERCYNYLCYSTEINE
SULFOXIDE LYASE

(Neurospora
crassa) 		no annotation 5 GLY C 225
VAL C 229
GLU C 330
SER C 243
VAL C 193
 None
 1.25A 4da6A-5v12C:
undetectable		 4da6A-5v12C:
17.08
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.
6czm -

(-) 		no annotation 5 GLY A 108
VAL A 107
SER A 236
ASP A 110
VAL A 111
 None
 1.22A 4da6A-6czmA:
undetectable		 4da6A-6czmA:
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 5 MET A  64
GLY A  92
MET A 180
GLU A 181
ASP A 204
 None
IMD  A 302 ( 4.2A)
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.99A 4da6A-6g7xA:
37.3		 4da6A-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 5 MET A  64
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
None
 1.16A 4da6A-6g7xA:
37.3		 4da6A-6g7xA:
undetectable