SIMILAR PATTERNS OF AMINO ACIDS FOR 4DAN_A_2FAA301

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) 		8 ARG A  86
GLY A  91
VAL A 179
GLU A 180
MET A 181
GLU A 182
SER A 204
ASP A 205
 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)
FMB  A 270 (-3.2A)
None
 0.85A 4danA-1jdzA:
20.0		 4danA-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
 1.19A 4danA-1l6wA:
undetectable		 4danA-1l6wA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m3v FUSION OF THE LIM
INTERACTING DOMAIN
OF LDB1 AND THE
N-TERMINAL LIM
DOMAIN OF LMO4

(Mus musculus) 		PF00412
(LIM) 		5 GLY A  81
GLU A 100
SER A  48
ASP A  83
VAL A  87
 None
 0.92A 4danA-1m3vA:
undetectable		 4danA-1m3vA:
18.36
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)
 0.50A 4danA-1odiA:
34.9		 4danA-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) 		6 ARG A  87
GLY A 177
VAL A 178
GLU A 179
GLU A 181
VAL A  94
 PO4  A 309 ( 2.8A)
None
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-2.9A)
None
 1.33A 4danA-1pk9A:
36.5		 4danA-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) 		6 ARG A  87
GLY A 177
VAL A 178
GLU A 179
MET A 180
GLU A 181
 PO4  A 309 ( 2.8A)
None
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
 1.31A 4danA-1pk9A:
36.5		 4danA-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) 		10 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
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 ( 3.9A)
2FA  A 306 (-3.1A)
 0.63A 4danA-1pk9A:
36.5		 4danA-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
 0.61A 4danA-1t8wA:
23.6		 4danA-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.
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
 1.01A 4danA-1z0vA:
undetectable		 4danA-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) 		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)
 0.50A 4danA-1z34A:
36.1		 4danA-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) 		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)
 0.40A 4danA-1z34A:
36.1		 4danA-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) 		7 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 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 (-3.4A)
 0.66A 4danA-1zosA:
22.3		 4danA-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) 		7 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
SER A 196
ASP A 197
 MTM  A 301 (-3.1A)
MTM  A 301 (-3.6A)
None
None
MTM  A 301 (-3.5A)
MTM  A 301 (-3.4A)
MTM  A 301 (-2.9A)
 0.90A 4danA-1zosA:
22.3		 4danA-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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ARG A 236
GLY A 329
VAL A 328
GLU A 372
VAL A 395
 None
 1.00A 4danA-2bklA:
undetectable		 4danA-2bklA:
17.16
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.
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)
 0.53A 4danA-2bsxA:
31.3		 4danA-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.
2cc0 ACETYL-XYLAN
ESTERASE

(Streptomyces
lividans) 		PF01522
(Polysacc_deac_1) 		5 ARG A 111
VAL A 122
GLU A 121
ASP A 125
VAL A 151
 None
 1.08A 4danA-2cc0A:
undetectable		 4danA-2cc0A:
20.74
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.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		5 GLY A  95
VAL A  99
GLU A 100
SER A  94
VAL A 214
 PLP  A1001 (-3.3A)
None
None
PLP  A1001 (-3.9A)
PLP  A1001 (-4.3A)
 1.29A 4danA-2eh6A:
undetectable		 4danA-2eh6A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 4danA-2gezB:
undetectable		 4danA-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
 1.27A 4danA-2ijd1:
undetectable		 4danA-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.
2j7n RNA-DEPENDENT RNA
POLYMERASE

(Neurospora
crassa) 		PF05183
(RdRP) 		5 ARG A 525
GLY A 737
VAL A 782
GLU A 781
VAL A 735
 None
 1.25A 4danA-2j7nA:
undetectable		 4danA-2j7nA:
14.81
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.
2yvp MUTT/NUDIX FAMILY
PROTEIN

(Thermus
thermophilus) 		PF00293
(NUDIX) 		5 GLY A  96
VAL A  95
GLU A  94
GLU A 139
VAL A 129
 None
None
MG  A 184 (-2.5A)
MG  A 183 (-2.5A)
None
 1.28A 4danA-2yvpA:
undetectable		 4danA-2yvpA:
22.18
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.
2zyl POSSIBLE
OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF00355
(Rieske) 		5 GLY A  42
VAL A  43
GLU A  44
SER A  75
VAL A  52
 None
 1.19A 4danA-2zylA:
undetectable		 4danA-2zylA:
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.
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 4danA-3a2bA:
undetectable		 4danA-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.
3b3j HISTONE-ARGININE
METHYLTRANSFERASE
CARM1

(Rattus
norvegicus) 		PF06325
(PrmA) 		5 SER A 217
GLY A 241
VAL A 214
GLU A 215
VAL A 246
 None
 1.17A 4danA-3b3jA:
undetectable		 4danA-3b3jA:
20.38
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.
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)
 0.30A 4danA-3bjeA:
27.8		 4danA-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.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		5 MET A  87
GLY A 142
GLU A 284
MET A 285
SER A 309
 R1P  A 401 ( 3.9A)
URA  A 501 (-3.4A)
R1P  A 401 ( 4.6A)
R1P  A 401 ( 3.9A)
URA  A 501 (-3.2A)
 1.09A 4danA-3bjeA:
27.8		 4danA-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) 		7 SER A  75
GLY A  77
VAL A 170
GLU A 171
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 (-4.7A)
FMC  A 229 (-3.5A)
FMC  A 229 (-2.5A)
FMC  A 229 (-3.5A)
 0.51A 4danA-3bl6A:
24.6		 4danA-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.
3br8 PROBABLE
ACYLPHOSPHATASE

(Bacillus
subtilis) 		PF00708
(Acylphosphatase) 		5 GLY A  63
VAL A  60
GLU A  24
SER A  64
VAL A  69
 None
 1.23A 4danA-3br8A:
undetectable		 4danA-3br8A:
17.65
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
 1.09A 4danA-3cf4A:
undetectable		 4danA-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) 		7 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
 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 (-3.3A)
 0.62A 4danA-3dp9A:
23.8		 4danA-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) 		6 SER A  76
GLY A  78
VAL A 172
GLU A 173
SER A 197
ASP A 198
 BIG  A 301 (-3.3A)
BIG  A 301 (-3.7A)
BIG  A 301 (-4.9A)
None
BIG  A 301 (-3.3A)
BIG  A 301 (-2.9A)
 0.86A 4danA-3dp9A:
23.8		 4danA-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) 		7 SER A  79
GLY A  81
VAL A 175
GLU A 176
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 (-4.6A)
MTM  A 234 (-3.8A)
MTM  A 234 (-2.6A)
MTM  A 234 (-3.4A)
 0.55A 4danA-3eeiA:
23.8		 4danA-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)
 0.82A 4danA-3eeiA:
23.8		 4danA-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) 		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
 0.44A 4danA-3emvA:
31.5		 4danA-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.
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)
 0.32A 4danA-3eufA:
24.5		 4danA-3eufA:
27.05
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.
3gzs UNCHARACTERIZED SUSD
SUPERFAMILY PROTEIN

(Bacteroides
fragilis) 		PF12741
(SusD-like) 		5 GLY A 462
GLU A 464
GLU A 362
ASP A  87
VAL A  82
 None
 1.14A 4danA-3gzsA:
undetectable		 4danA-3gzsA:
19.77
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.
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 4danA-3kvyA:
24.6		 4danA-3kvyA:
25.08
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.
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
SER A 196
 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 (-3.3A)
 0.51A 4danA-3o4vA:
23.7		 4danA-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) 		6 SER A  76
GLY A  78
VAL A 171
MET A 173
SER A 196
ASP A 197
 4CT  A 233 (-3.2A)
4CT  A 233 (-3.8A)
4CT  A 233 ( 4.9A)
4CT  A 233 (-3.6A)
4CT  A 233 (-3.3A)
4CT  A 233 (-2.9A)
 0.83A 4danA-3o4vA:
23.7		 4danA-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) 		6 ARG A 101
GLY A 106
VAL A 192
GLU A 193
GLU A 195
VAL A 108
 PO4  A 501 (-2.8A)
DIH  A 500 (-4.0A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-2.9A)
None
 1.45A 4danA-3of3A:
35.6		 4danA-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) 		6 ARG A 101
GLY A 191
VAL A 192
GLU A 193
GLU A 195
VAL A 108
 PO4  A 501 (-2.8A)
None
DIH  A 500 (-4.8A)
None
DIH  A 500 (-2.9A)
None
 1.29A 4danA-3of3A:
35.6		 4danA-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) 		6 ARG A 101
GLY A 191
VAL A 192
GLU A 193
MET A 194
GLU A 195
 PO4  A 501 (-2.8A)
None
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
 1.31A 4danA-3of3A:
35.6		 4danA-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) 		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
SER A 217
 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 (-3.3A)
 0.54A 4danA-3of3A:
35.6		 4danA-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 SER A 104
GLY A 106
VAL A 192
GLU A 193
MET A 194
SER A 217
ASP A 218
 PO4  A 501 ( 2.7A)
DIH  A 500 (-4.0A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-3.3A)
DIH  A 500 (-3.1A)
 0.73A 4danA-3of3A:
35.6		 4danA-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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 GLY A 127
VAL A 131
GLU A 132
SER A 126
VAL A 265
 LLP  A 292 ( 3.2A)
None
None
LLP  A 292 ( 3.8A)
LLP  A 292 ( 4.2A)
 1.26A 4danA-3oksA:
undetectable		 4danA-3oksA:
19.40
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.
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
 0.37A 4danA-3p0fA:
24.2		 4danA-3p0fA:
26.38
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.
3q8n 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 GLY A 134
VAL A 138
GLU A 139
SER A 133
VAL A 266
 SSN  A 461 (-3.4A)
None
None
SSN  A 461 (-3.8A)
SSN  A 461 (-4.9A)
 1.25A 4danA-3q8nA:
undetectable		 4danA-3q8nA:
20.53
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)
 0.38A 4danA-3qpbA:
29.9		 4danA-3qpbA:
34.58
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.
3r4t 4-AMINOBUTYRATE
AMINOTRANSFERASE
GABT

(Mycobacterium
marinum) 		PF00202
(Aminotran_3) 		5 GLY A 126
VAL A 130
GLU A 131
SER A 125
VAL A 264
 LLP  A 291 ( 3.5A)
None
None
LLP  A 291 ( 4.0A)
LLP  A 291 ( 4.3A)
 1.27A 4danA-3r4tA:
undetectable		 4danA-3r4tA:
20.43
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) 		10 MET A  69
ARG A  92
SER A  95
GLY A  97
VAL A 182
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
None
SO4  A 239 ( 4.4A)
None
None
 0.93A 4danA-3tl6A:
35.2		 4danA-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) 		6 MET A  64
ARG A  87
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
SO4  A 236 (-2.7A)
None
None
SO4  A 236 ( 4.4A)
None
 0.65A 4danA-3uavA:
38.8		 4danA-3uavA:
71.37
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)
 0.28A 4danA-3uavA:
38.8		 4danA-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.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		5 ARG A 257
VAL A 115
GLU A 114
GLU A 259
VAL A 140
 None
 1.29A 4danA-3wfzA:
undetectable		 4danA-3wfzA:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zkb DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ARG A 134
VAL A 137
GLU A 136
ASP A  97
VAL A  96
 None
 1.28A 4danA-3zkbA:
undetectable		 4danA-3zkbA:
21.91
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.
4aip FE-REGULATED PROTEIN
B

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ARG A 188
VAL A 144
SER A 250
ASP A 273
VAL A 139
 None
 1.15A 4danA-4aipA:
undetectable		 4danA-4aipA:
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.
4atq 4-AMINOBUTYRATE
TRANSAMINASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		5 GLY A 134
VAL A 138
GLU A 139
SER A 133
VAL A 268
 PLP  A1456 (-3.3A)
None
None
PLP  A1456 (-3.8A)
PLP  A1456 (-4.2A)
 1.29A 4danA-4atqA:
undetectable		 4danA-4atqA:
20.30
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
 1.35A 4danA-4daoA:
42.6		 4danA-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) 		11 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
VAL A 205
 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 (-3.5A)
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
 0.50A 4danA-4daoA:
42.6		 4danA-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.
4ffc 4-AMINOBUTYRATE
AMINOTRANSFERASE
(GABT)

(Mycobacteroides
abscessus) 		PF00202
(Aminotran_3) 		5 GLY A 130
VAL A 134
GLU A 135
SER A 129
VAL A 263
 LLP  A 290 ( 3.4A)
None
None
LLP  A 290 ( 3.9A)
LLP  A 290 ( 4.2A)
 1.27A 4danA-4ffcA:
undetectable		 4danA-4ffcA:
21.00
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.
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)
 0.78A 4danA-4g41A:
23.4		 4danA-4g41A:
25.86
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.
4gd5 PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		5 SER A  83
GLY A  86
VAL A 241
MET A  79
SER A  39
 None
 1.12A 4danA-4gd5A:
undetectable		 4danA-4gd5A:
22.30
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.
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)
 0.76A 4danA-4josA:
13.3		 4danA-4josA:
26.47
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
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.42A 4danA-4jwtA:
23.0		 4danA-4jwtA:
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.
4kn5 METHYLTHIOADENOSINE
NUCLEOSIDASE

(Weissella
paramesenteroides) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
GLU A 173
GLU A 175
ASP A 198
 None
EDO  A 301 (-3.3A)
None
None
EDO  A 301 ( 4.4A)
 0.91A 4danA-4kn5A:
22.9		 4danA-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
GLU A 173
MET A 174
GLU A 175
 None
EDO  A 301 (-3.3A)
None
None
None
 0.59A 4danA-4kn5A:
22.9		 4danA-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
GLU A 173
MET A 174
SER A 197
 None
EDO  A 301 (-3.3A)
None
None
None
 0.78A 4danA-4kn5A:
22.9		 4danA-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
GLU A 173
SER A 197
ASP A 198
 None
EDO  A 301 (-3.3A)
None
None
EDO  A 301 ( 4.4A)
 0.78A 4danA-4kn5A:
22.9		 4danA-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) 		7 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.80A 4danA-4l0mA:
22.7		 4danA-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) 		8 MET A  65
ARG A  88
SER A  91
GLY A  93
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
None
PO4  A 301 ( 4.7A)
None
 0.94A 4danA-4ldnA:
37.3		 4danA-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) 		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)
 0.47A 4danA-4ldnA:
37.3		 4danA-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) 		8 MET A  64
ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
 0.75A 4danA-4lkrA:
37.3		 4danA-4lkrA:
49.43
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.
4lry PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Escherichia
coli) 		PF02733
(Dak1) 		5 ARG A 225
GLY A 219
VAL A 215
GLU A 212
SER A 203
 None
 1.20A 4danA-4lryA:
undetectable		 4danA-4lryA:
22.56
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
ARG A  87
GLU A 179
MET A 180
GLU A 181
ASP A 204
 None
 0.98A 4danA-4m3nA:
39.1		 4danA-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) 		7 MET A  64
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
 0.99A 4danA-4m3nA:
39.1		 4danA-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) 		6 MET A  64
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
 0.39A 4danA-4m3nA:
39.1		 4danA-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) 		9 MET A  65
ARG A  88
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
SER A 204
ASP A 205
 None
PO4  A 400 (-3.0A)
None
None
None
None
PO4  A 400 ( 4.4A)
None
None
 0.54A 4danA-4m7wA:
38.2		 4danA-4m7wA:
59.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.55A 4danA-4mchA:
31.3		 4danA-4mchA:
31.67
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.
4mup AMIDOHYDROLASE

(Agrobacterium
fabrum) 		PF04909
(Amidohydro_2) 		5 ARG A 272
GLY A  20
VAL A 277
GLU A 269
VAL A 289
 None
 1.29A 4danA-4mupA:
undetectable		 4danA-4mupA:
26.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ppm AMINOTRANSFERASE

(Serratia sp.
FS14) 		PF00202
(Aminotran_3) 		5 GLY A 503
VAL A 507
GLU A 508
SER A 502
VAL A 618
 PLP  A 902 (-3.3A)
None
None
PLP  A 902 ( 3.9A)
PLP  A 902 (-4.4A)
 1.28A 4danA-4ppmA:
undetectable		 4danA-4ppmA:
13.82
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
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)
 0.58A 4danA-4pr3A:
9.9		 4danA-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.
4q8r PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		5 SER A  53
GLY A  56
VAL A 211
MET A  49
SER A   9
 None
 1.12A 4danA-4q8rA:
undetectable		 4danA-4q8rA:
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 8 SER B  76
GLY B  78
VAL B 172
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)
None
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)
 0.78A 4danA-4qezB:
23.0		 4danA-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
 0.51A 4danA-4qfbA:
18.0		 4danA-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
 0.91A 4danA-4qfbA:
18.0		 4danA-4qfbA:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
GLY A  93
GLU A 193
MET A 194
GLU A 195
VAL A 218
 SO4  A 302 ( 2.8A)
None
GOL  A 303 (-4.9A)
GOL  A 303 (-3.5A)
GOL  A 303 (-2.9A)
None
 1.36A 4danA-4r2wA:
29.3		 4danA-4r2wA:
30.80
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) 		8 MET A  86
ARG A 109
GLY A 114
GLU A 201
MET A 202
GLU A 203
SER A 225
ASP A 226
 None
SO4  A 301 (-2.8A)
None
None
None
SO4  A 301 ( 4.4A)
None
None
 0.87A 4danA-4tymA:
37.8		 4danA-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.
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)
 0.49A 4danA-5b7nA:
22.5		 4danA-5b7nA:
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.
5cyf PUTATIVE URIDINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 ARG A 121
GLU A 232
MET A 233
GLU A 234
VAL A 257
 FLC  A 301 (-3.0A)
None
None
FLC  A 301 (-2.8A)
None
 0.95A 4danA-5cyfA:
23.9		 4danA-5cyfA:
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		8 SER A  76
GLY A  78
VAL A 177
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)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.75A 4danA-5dk6A:
23.0		 4danA-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.
5h7d PUTRESCINE
AMINOTRANSFERASE,IMM
UNOGLOBULIN
G-BINDING PROTEIN A

(Escherichia
coli;
Staphylococcus
aureus) 		PF00202
(Aminotran_3)
PF02216
(B) 		5 GLY A 150
VAL A 154
GLU A 155
SER A 149
VAL A 273
 None
 1.25A 4danA-5h7dA:
undetectable		 4danA-5h7dA:
20.20
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 104
GLU A 179
SER A 105
ASP A 108
VAL A 613
 None
 1.30A 4danA-5i68A:
undetectable		 4danA-5i68A:
15.87
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) 		7 GLY A  80
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
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 ( 2.8A)
4CT  A 301 (-2.2A)
 0.67A 4danA-5k1zA:
24.6		 4danA-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.
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)
 0.28A 4danA-5lhvA:
30.1		 4danA-5lhvA:
28.88
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.
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
GLU A 175
SER A 197
ASP A 198
 TRS  A 302 (-2.8A)
9DA  A 301 (-3.5A)
None
TRS  A 302 ( 4.6A)
TRS  A 302 (-2.7A)
9DA  A 301 (-3.2A)
9DA  A 301 (-2.8A)
 0.83A 4danA-5ue1A:
23.8		 4danA-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) 		7 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
 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 (-3.2A)
 0.66A 4danA-5ue1A:
23.8		 4danA-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 6 ARG C 323
GLY C 225
VAL C 229
GLU C 330
SER C 243
VAL C 193
 None
 1.46A 4danA-5v12C:
2.6		 4danA-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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 5 ARG A 172
GLY A 472
VAL A 479
GLU A 542
VAL A 470
 None
None
None
GOL  A 703 (-4.4A)
None
 1.08A 4danA-5zl9A:
undetectable		 4danA-5zl9A:
19.46
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.
6czm -

(-) 		no annotation 5 GLY A 108
VAL A 107
SER A 236
ASP A 110
VAL A 111
 None
 1.22A 4danA-6czmA:
undetectable		 4danA-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.
6en3 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE
F2,MULTIFUNCTIONAL-A
UTOPROCESSING
REPEATS-IN-TOXIN

(Streptococcus
pyogenes;
Vibrio cholerae) 		no annotation 5 ARG A 520
SER A 571
GLY A 596
SER A 595
ASP A 632
 None
 1.20A 4danA-6en3A:
undetectable		 4danA-6en3A:
17.47
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 8 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
None
 0.98A 4danA-6g7xA:
37.2		 4danA-6g7xA:
undetectable