SIMILAR PATTERNS OF AMINO ACIDS FOR 4DAN_B_2FAB301_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) 		7 ARG A  86
GLY A  91
VAL A 179
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 (-4.6A)
FMB  A 270 (-3.8A)
FMB  A 270 (-2.8A)
FMB  A 270 (-3.2A)
 0.75A 4danA-1jdzA:
20.0
4danB-1jdzA:
32.8		 4danA-1jdzA:
31.01
4danB-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
GLU A 180
MET A 181
ASP A 205
 FMB  A 270 (-3.3A)
FMB  A 270 (-4.6A)
FMB  A 270 (-4.6A)
FMB  A 270 (-3.8A)
None
 0.75A 4danA-1jdzA:
20.0
4danB-1jdzA:
32.8		 4danA-1jdzA:
31.01
4danB-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
 1.23A 4danA-1l6wA:
undetectable
4danB-1l6wA:
undetectable		 4danA-1l6wA:
21.85
4danB-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
 0.96A 4danA-1m3vA:
undetectable
4danB-1m3vA:
undetectable		 4danA-1m3vA:
18.36
4danB-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) 		6 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 SO4  A1236 ( 2.8A)
ADN  A1237 (-3.4A)
ADN  A1237 (-4.9A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
ADN  A1237 ( 3.7A)
 0.56A 4danA-1odiA:
34.9
4danB-1odiA:
35.2		 4danA-1odiA:
36.22
4danB-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
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)
 1.30A 4danA-1pk9A:
36.5
4danB-1pk9A:
36.9		 4danA-1pk9A:
53.15
4danB-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) 		5 ARG A  87
GLY A 177
VAL A 178
GLU A 179
VAL A  94
 PO4  A 309 ( 2.8A)
None
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
None
 1.10A 4danA-1pk9A:
36.5
4danB-1pk9A:
36.9		 4danA-1pk9A:
53.15
4danB-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) 		9 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
 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)
 0.66A 4danA-1pk9A:
36.5
4danB-1pk9A:
36.9		 4danA-1pk9A:
53.15
4danB-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
 0.58A 4danA-1t8wA:
23.6
4danB-1t8wA:
23.8		 4danA-1t8wA:
20.37
4danB-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
 1.05A 4danA-1z0vA:
undetectable
4danB-1z0vA:
undetectable		 4danA-1z0vA:
23.66
4danB-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) 		6 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 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)
 0.56A 4danA-1z34A:
36.1
4danB-1z34A:
36.4		 4danA-1z34A:
46.51
4danB-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) 		6 ARG A  87
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 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)
 0.43A 4danA-1z34A:
36.1
4danB-1z34A:
36.4		 4danA-1z34A:
46.51
4danB-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) 		8 SER A  76
GLY A  78
VAL A 171
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
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
MTM  A 301 (-3.4A)
MTM  A 301 (-2.9A)
 0.87A 4danA-1zosA:
22.3
4danB-1zosA:
22.6		 4danA-1zosA:
24.06
4danB-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
 0.97A 4danA-2bklA:
undetectable
4danB-2bklA:
undetectable		 4danA-2bklA:
17.16
4danB-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)
 0.59A 4danA-2bsxA:
31.3
4danB-2bsxA:
31.4		 4danA-2bsxA:
23.81
4danB-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
4danB-2cc0A:
undetectable		 4danA-2cc0A:
20.74
4danB-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.
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
 1.22A 4danA-2gezB:
undetectable
4danB-2gezB:
undetectable		 4danA-2gezB:
19.16
4danB-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
 1.29A 4danA-2ijd1:
undetectable
4danB-2ijd1:
undetectable		 4danA-2ijd1:
17.31
4danB-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
 1.27A 4danA-2rbcA:
undetectable
4danB-2rbcA:
undetectable		 4danA-2rbcA:
27.95
4danB-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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		5 HIS A 100
SER A 358
GLY A 497
SER A 504
VAL A 498
 None
 1.15A 4danA-2wu8A:
undetectable
4danB-2wu8A:
undetectable		 4danA-2wu8A:
19.17
4danB-2wu8A:
19.17
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.
2zyl POSSIBLE
OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF00355
(Rieske) 		5 GLY A  42
VAL A  43
GLU A  44
SER A  75
VAL A  52
 None
 1.24A 4danA-2zylA:
undetectable
4danB-2zylA:
undetectable		 4danA-2zylA:
20.73
4danB-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
GLU A 323
ASP A 211
VAL A 209
 None
 1.02A 4danA-3a2bA:
undetectable
4danB-3a2bA:
undetectable		 4danA-3a2bA:
22.53
4danB-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
 0.61A 4danA-3a2bA:
undetectable
4danB-3a2bA:
undetectable		 4danA-3a2bA:
22.53
4danB-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
 1.28A 4danA-3b3jA:
undetectable
4danB-3b3jA:
undetectable		 4danA-3b3jA:
20.38
4danB-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) 		5 ARG A 137
GLY A 142
GLU A 284
MET A 285
GLU A 286
 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)
 0.32A 4danA-3bjeA:
27.8
4danB-3bjeA:
28.0		 4danA-3bjeA:
27.25
4danB-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 GLY A 142
GLU A 284
MET A 285
GLU A 286
SER A 309
 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)
 1.15A 4danA-3bjeA:
27.8
4danB-3bjeA:
28.0		 4danA-3bjeA:
27.25
4danB-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 GLY A  77
VAL A 170
MET A 172
GLU A 173
SER A 195
ASP A 196
 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)
 0.86A 4danA-3bl6A:
24.6
4danB-3bl6A:
24.8		 4danA-3bl6A:
23.10
4danB-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.
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)
 0.57A 4danA-3bl6A:
24.6
4danB-3bl6A:
24.8		 4danA-3bl6A:
23.10
4danB-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
 1.19A 4danA-3br8A:
undetectable
4danB-3br8A:
undetectable		 4danA-3br8A:
17.65
4danB-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.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		8 SER A  76
GLY A  78
VAL A 172
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)
BIG  A 301 (-4.9A)
None
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
BIG  A 301 (-3.3A)
BIG  A 301 (-2.9A)
 0.81A 4danA-3dp9A:
23.8
4danB-3dp9A:
24.0		 4danA-3dp9A:
22.88
4danB-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
4danB-3eeiA:
23.9		 4danA-3eeiA:
24.62
4danB-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) 		7 SER A  79
GLY A  81
VAL A 175
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 ( 4.9A)
MTM  A 234 (-3.8A)
MTM  A 234 (-2.6A)
MTM  A 234 (-3.4A)
MTM  A 234 (-3.0A)
 0.80A 4danA-3eeiA:
23.8
4danB-3eeiA:
23.9		 4danA-3eeiA:
24.62
4danB-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
 0.42A 4danA-3emvA:
31.5
4danB-3emvA:
31.5		 4danA-3emvA:
24.00
4danB-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) 		5 ARG A 138
GLY A 143
GLU A 248
MET A 249
GLU A 250
 PO4  A 401 (-3.0A)
BAU  A 400 (-3.3A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
 0.42A 4danA-3eufA:
24.5
4danB-3eufA:
24.4		 4danA-3eufA:
27.05
4danB-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
 1.16A 4danA-3gzsA:
undetectable
4danB-3gzsA:
undetectable		 4danA-3gzsA:
19.77
4danB-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.
3hjb GLUCOSE-6-PHOSPHATE
ISOMERASE

(Vibrio cholerae) 		PF00342
(PGI) 		5 HIS A  99
SER A 357
GLY A 498
SER A 505
VAL A 499
 None
 1.18A 4danA-3hjbA:
undetectable
4danB-3hjbA:
undetectable		 4danA-3hjbA:
20.63
4danB-3hjbA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus) 		PF00329
(Complex1_30kDa)
PF00346
(Complex1_49kDa) 		5 ARG 4 409
GLY 5  54
VAL 5 118
GLU 5 117
VAL 5  70
 None
 1.25A 4danA-3i9v4:
undetectable
4danB-3i9v4:
undetectable		 4danA-3i9v4:
19.51
4danB-3i9v4:
19.51
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.
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
 1.25A 4danA-3k4xA:
undetectable
4danB-3k4xA:
undetectable		 4danA-3k4xA:
16.43
4danB-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.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		5 ARG A 137
GLY A 142
GLU A 247
MET A 248
GLU A 249
 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)
 0.32A 4danA-3kvyA:
24.6
4danB-3kvyA:
24.5		 4danA-3kvyA:
25.08
4danB-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.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		5 HIS A  41
GLY A 107
GLU A  68
SER A 105
ASP A 143
 None
 1.16A 4danA-3n11A:
undetectable
4danB-3n11A:
undetectable		 4danA-3n11A:
21.14
4danB-3n11A:
21.14
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.
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)
 0.52A 4danA-3o4vA:
23.7
4danB-3o4vA:
23.9		 4danA-3o4vA:
20.73
4danB-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) 		7 SER A  76
GLY A  78
VAL A 171
MET A 173
GLU A 174
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 (-3.0A)
4CT  A 233 (-3.3A)
4CT  A 233 (-2.9A)
 0.76A 4danA-3o4vA:
23.7
4danB-3o4vA:
23.9		 4danA-3o4vA:
20.73
4danB-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 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
4danB-3of3A:
36.0		 4danA-3of3A:
50.97
4danB-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)
 1.28A 4danA-3of3A:
35.6
4danB-3of3A:
36.0		 4danA-3of3A:
50.97
4danB-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 ARG A 101
SER A 104
GLY A 106
VAL A 192
GLU A 193
MET A 194
GLU A 195
SER A 217
ASP A 218
 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)
DIH  A 500 (-3.1A)
 0.67A 4danA-3of3A:
35.6
4danB-3of3A:
36.0		 4danA-3of3A:
50.97
4danB-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.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 ARG A 144
GLY A 149
GLU A 254
MET A 255
GLU A 256
 None
BAU  A 400 (-3.5A)
None
BAU  A 400 (-3.9A)
None
 0.43A 4danA-3p0fA:
24.2
4danB-3p0fA:
24.1		 4danA-3p0fA:
26.38
4danB-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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ARG A 338
GLY A  72
VAL A  30
GLU A  31
VAL A  71
 None
None
None
None
FAD  A 499 ( 4.5A)
 1.20A 4danA-3popA:
undetectable
4danB-3popA:
undetectable		 4danA-3popA:
19.04
4danB-3popA:
19.04
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.
3q88 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Francisella
tularensis) 		PF00342
(PGI) 		5 HIS A  88
SER A 347
GLY A 488
SER A 495
VAL A 489
 None
 1.19A 4danA-3q88A:
3.3
4danB-3q88A:
undetectable		 4danA-3q88A:
18.81
4danB-3q88A:
18.81
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)
 0.43A 4danA-3qpbA:
29.9
4danB-3qpbA:
30.2		 4danA-3qpbA:
34.58
4danB-3qpbA:
34.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tl6 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Entamoeba
histolytica) 		PF01048
(PNP_UDP_1) 		8 ARG A  92
GLY A  97
VAL A 182
GLU A 183
MET A 184
GLU A 185
SER A 207
ASP A 208
 SO4  A 239 (-3.2A)
None
None
None
None
SO4  A 239 ( 4.4A)
None
None
 0.89A 4danA-3tl6A:
35.2
4danB-3tl6A:
35.3		 4danA-3tl6A:
43.31
4danB-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) 		8 ARG A  92
SER A  95
GLY A  97
VAL A 182
GLU A 183
MET A 184
GLU A 185
SER A 207
 SO4  A 239 (-3.2A)
SO4  A 239 (-3.4A)
None
None
None
None
SO4  A 239 ( 4.4A)
None
 0.69A 4danA-3tl6A:
35.2
4danB-3tl6A:
35.3		 4danA-3tl6A:
43.31
4danB-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 ARG A  87
GLU A 179
MET A 180
GLU A 181
SER A 203
 SO4  A 236 (-2.7A)
None
None
SO4  A 236 ( 4.4A)
None
 0.78A 4danA-3uavA:
38.8
4danB-3uavA:
38.8		 4danA-3uavA:
71.37
4danB-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) 		6 ARG A  87
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 SO4  A 236 (-2.7A)
None
None
None
None
SO4  A 236 ( 4.4A)
 0.30A 4danA-3uavA:
38.8
4danB-3uavA:
38.8		 4danA-3uavA:
71.37
4danB-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.
3w1h L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 ARG A  86
VAL A 167
GLU A 168
ASP A 247
VAL A 214
 LLP  A 285 ( 3.1A)
None
None
LLP  A 285 ( 3.3A)
LLP  A 285 ( 4.7A)
 1.28A 4danA-3w1hA:
undetectable
4danB-3w1hA:
undetectable		 4danA-3w1hA:
21.10
4danB-3w1hA:
21.10
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.
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
 1.24A 4danA-3wi5A:
undetectable
4danB-3wi5A:
undetectable		 4danA-3wi5A:
23.10
4danB-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.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2

(Homo sapiens) 		PF10250
(O-FucT) 		5 ARG A 303
SER A 387
GLY A 383
SER A 390
VAL A 291
 None
 1.29A 4danA-4ap5A:
undetectable
4danB-4ap5A:
undetectable		 4danA-4ap5A:
20.58
4danB-4ap5A:
20.58
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
 1.33A 4danA-4daoA:
42.6
4danB-4daoA:
42.3		 4danA-4daoA:
100.00
4danB-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) 		10 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
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)
 0.56A 4danA-4daoA:
42.6
4danB-4daoA:
42.3		 4danA-4daoA:
100.00
4danB-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.
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)
 0.83A 4danA-4g41A:
23.4
4danB-4g41A:
23.4		 4danA-4g41A:
25.86
4danB-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.
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
4danB-4josA:
23.9		 4danA-4josA:
26.47
4danB-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) 		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)
 0.76A 4danA-4jwtA:
23.0
4danB-4jwtA:
23.2		 4danA-4jwtA:
27.46
4danB-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) 		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
 0.83A 4danA-4kn5A:
22.9
4danB-4kn5A:
22.7		 4danA-4kn5A:
27.74
4danB-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)
 0.83A 4danA-4kn5A:
22.9
4danB-4kn5A:
22.7		 4danA-4kn5A:
27.74
4danB-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)
 0.76A 4danA-4l0mA:
22.7
4danB-4l0mA:
22.9		 4danA-4l0mA:
27.46
4danB-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) 		7 ARG A  88
SER A  91
GLY A  93
GLU A 180
MET A 181
GLU A 182
ASP A 205
 PO4  A 301 (-2.9A)
PO4  A 301 (-3.0A)
None
None
None
PO4  A 301 ( 4.7A)
None
 0.91A 4danA-4ldnA:
37.3
4danB-4ldnA:
37.4		 4danA-4ldnA:
50.94
4danB-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) 		7 ARG A  88
SER A  91
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
 PO4  A 301 (-2.9A)
PO4  A 301 (-3.0A)
None
None
None
None
PO4  A 301 ( 4.7A)
 0.48A 4danA-4ldnA:
37.3
4danB-4ldnA:
37.4		 4danA-4ldnA:
50.94
4danB-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 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
SER A 203
ASP A 204
 None
 0.77A 4danA-4lkrA:
37.3
4danB-4lkrA:
37.5		 4danA-4lkrA:
49.43
4danB-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
 1.16A 4danA-4lryA:
undetectable
4danB-4lryA:
3.1		 4danA-4lryA:
22.56
4danB-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 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
4danB-4m3nA:
39.0		 4danA-4m3nA:
54.26
4danB-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 GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
 0.42A 4danA-4m3nA:
39.1
4danB-4m3nA:
39.0		 4danA-4m3nA:
54.26
4danB-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) 		8 ARG A  88
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
SER A 204
ASP A 205
 PO4  A 400 (-3.0A)
None
None
None
None
PO4  A 400 ( 4.4A)
None
None
 0.54A 4danA-4m7wA:
38.2
4danB-4m7wA:
38.4		 4danA-4m7wA:
59.00
4danB-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)
 0.45A 4danA-4mchA:
31.3
4danB-4mchA:
31.6		 4danA-4mchA:
31.67
4danB-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.
4o7h GLUTATHIONE
S-TRANSFERASE

(Rhodospirillum
rubrum) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 HIS A 184
ARG A 142
GLY A 133
VAL A 106
GLU A 105
 None
 1.08A 4danA-4o7hA:
undetectable
4danB-4o7hA:
undetectable		 4danA-4o7hA:
22.47
4danB-4o7hA:
22.47
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 GLY A  67
VAL A 142
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.96A 4danA-4pr3A:
9.9
4danB-4pr3A:
14.9		 4danA-4pr3A:
23.70
4danB-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.
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)
 0.61A 4danA-4pr3A:
9.9
4danB-4pr3A:
14.9		 4danA-4pr3A:
23.70
4danB-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 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)
 0.77A 4danA-4qezB:
23.0
4danB-4qezB:
23.2		 4danA-4qezB:
24.30
4danB-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 6 GLY A  74
VAL A 135
MET A 137
GLU A 138
SER A 160
ASP A 161
 None
 0.89A 4danA-4qfbA:
18.0
4danB-4qfbA:
17.9		 4danA-4qfbA:
22.69
4danB-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) 		5 ARG A  27
ARG A  88
GLY A  93
GLU A 193
GLU A 195
 SO4  A 302 (-3.0A)
SO4  A 302 ( 2.8A)
None
GOL  A 303 (-4.9A)
GOL  A 303 (-2.9A)
 1.29A 4danA-4r2wA:
29.3
4danB-4r2wA:
29.6		 4danA-4r2wA:
30.80
4danB-4r2wA:
30.80
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
 1.32A 4danA-4r2wA:
29.3
4danB-4r2wA:
29.6		 4danA-4r2wA:
30.80
4danB-4r2wA:
30.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx1 ESTERASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		5 ARG A 164
GLY A 177
VAL A 132
SER A 179
VAL A 199
 None
 1.27A 4danA-4tx1A:
2.2
4danB-4tx1A:
undetectable		 4danA-4tx1A:
24.45
4danB-4tx1A:
24.45
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 ARG A 109
GLY A 114
GLU A 201
MET A 202
GLU A 203
SER A 225
ASP A 226
 SO4  A 301 (-2.8A)
None
None
None
SO4  A 301 ( 4.4A)
None
None
 0.87A 4danA-4tymA:
37.8
4danB-4tymA:
37.7		 4danA-4tymA:
52.29
4danB-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.
4wmj GLUCOSE-6-PHOSPHATE
ISOMERASE

(Colias
eurytheme) 		PF00342
(PGI) 		5 HIS A 104
SER A 362
GLY A 505
SER A 512
VAL A 506
 None
 1.23A 4danA-4wmjA:
undetectable
4danB-4wmjA:
undetectable		 4danA-4wmjA:
18.23
4danB-4wmjA:
18.23
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.
4x0q DNA POLYMERASE THETA

(Homo sapiens) 		PF00476
(DNA_pol_A) 		5 ARG A2228
GLY A2532
VAL A2546
GLU A2545
VAL A2554
 None
 1.30A 4danA-4x0qA:
undetectable
4danB-4x0qA:
undetectable		 4danA-4x0qA:
16.33
4danB-4x0qA:
16.33
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.
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)
 0.52A 4danA-5b7nA:
22.5
4danB-5b7nA:
22.1		 4danA-5b7nA:
25.09
4danB-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.
5c5h 2-SUCCINYLBENZOATE--
COA LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ARG A   9
GLY A  43
VAL A 123
GLU A  39
VAL A  46
 MG  A 501 (-4.5A)
None
None
None
None
 1.26A 4danA-5c5hA:
undetectable
4danB-5c5hA:
undetectable		 4danA-5c5hA:
18.85
4danB-5c5hA:
18.85
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.
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
4danB-5cyfA:
23.8		 4danA-5cyfA:
26.32
4danB-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)
 0.72A 4danA-5dk6A:
23.0
4danB-5dk6A:
23.3		 4danA-5dk6A:
25.61
4danB-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.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		5 HIS A 336
SER A 155
GLY A 178
VAL A 182
VAL A 410
 None
HDH  A 600 (-3.3A)
HDH  A 600 (-4.3A)
None
None
 1.09A 4danA-5h6sA:
undetectable
4danB-5h6sA:
undetectable		 4danA-5h6sA:
22.59
4danB-5h6sA:
22.59
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.
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
4danB-5i68A:
undetectable		 4danA-5i68A:
15.87
4danB-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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ARG A 313
SER A 177
GLY A 171
VAL A 212
SER A 154
 None
 0.98A 4danA-5i8iA:
undetectable
4danB-5i8iA:
undetectable		 4danA-5i8iA:
8.86
4danB-5i8iA:
8.86
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.
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
4danB-5k1zA:
24.7		 4danA-5k1zA:
20.99
4danB-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)
 0.36A 4danA-5lhvA:
30.1
4danB-5lhvA:
30.2		 4danA-5lhvA:
28.88
4danB-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.
5lta PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 ARG A 432
GLY A 119
VAL A 118
GLU A 219
SER A 123
 BEF  A 803 (-2.9A)
None
None
BEF  A 803 (-3.6A)
ADP  A 801 (-4.5A)
 1.16A 4danA-5ltaA:
undetectable
4danB-5ltaA:
undetectable		 4danA-5ltaA:
15.47
4danB-5ltaA:
15.47
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.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ARG A 236
ARG A 169
VAL A 199
GLU A 200
VAL A 453
 None
None
None
None
CL  A 701 (-4.1A)
 1.25A 4danA-5troA:
undetectable
4danB-5troA:
undetectable		 4danA-5troA:
17.16
4danB-5troA:
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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		8 SER A  76
GLY A  78
VAL A 172
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)
None
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)
 0.82A 4danA-5ue1A:
23.7
4danB-5ue1A:
23.9		 4danA-5ue1A:
22.05
4danB-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
 1.47A 4danA-5v12C:
2.6
4danB-5v12C:
undetectable		 4danA-5v12C:
17.08
4danB-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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 5 HIS A  98
SER A 355
GLY A 496
SER A 503
VAL A 497
 None
 1.16A 4danA-6bzcA:
2.4
4danB-6bzcA:
3.1		 4danA-6bzcA:
16.60
4danB-6bzcA:
16.60
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
 1.23A 4danA-6czmA:
undetectable
4danB-6czmA:
undetectable		 4danA-6czmA:
undetectable
4danB-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
 1.15A 4danA-6en3A:
undetectable
4danB-6en3A:
undetectable		 4danA-6en3A:
17.47
4danB-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 7 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
ASP A 204
 PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
None
 1.01A 4danA-6g7xA:
37.2
4danB-6g7xA:
37.3		 4danA-6g7xA:
undetectable
4danB-6g7xA:
undetectable