SIMILAR PATTERNS OF AMINO ACIDS FOR 3UAW_A_ADNA236

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 ARG A  74
GLY A 128
VAL A 129
GLU A 132
ILE A 144
 None
 1.07A 3uawA-1dabA:
undetectable		 3uawA-1dabA:
19.29
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.
1gxl CHROMOSOME
SEGREGATION SMC
PROTEIN

(Thermotoga
maritima) 		PF06470
(SMC_hinge) 		5 GLY A 578
VAL A 608
GLU A 607
ASP A 577
ILE A 576
 None
 1.21A 3uawA-1gxlA:
undetectable		 3uawA-1gxlA:
23.17
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.
1hsl HISTIDINE-BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		5 GLY A   9
VAL A  48
GLU A  49
SER A  69
ILE A  64
 None
None
None
HIS  A 239 (-4.6A)
None
 0.79A 3uawA-1hslA:
undetectable		 3uawA-1hslA:
22.89
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
THR A  89
GLY A  91
VAL A 179
GLU A 180
MET A 181
GLU A 182
SER A 204
 SO4  A 250 ( 3.1A)
SO4  A 250 ( 3.0A)
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)
 0.68A 3uawA-1jdzA:
21.2		 3uawA-1jdzA:
36.25
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 MET A 181
ARG A  86
THR A  89
GLU A 182
SER A 204
 FMB  A 270 (-3.8A)
SO4  A 250 ( 3.1A)
SO4  A 250 ( 3.0A)
FMB  A 270 (-2.8A)
FMB  A 270 (-3.2A)
 1.23A 3uawA-1jdzA:
21.2		 3uawA-1jdzA:
36.25
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.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 MET A 461
GLY A 214
VAL A 453
SER A 217
ILE A 212
 None
 1.24A 3uawA-1l1fA:
undetectable		 3uawA-1l1fA:
18.97
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.
1n7r HYALURONIDASE

(Streptococcus
pneumoniae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 GLY A 481
VAL A 478
GLU A 477
SER A 417
ILE A 482
 None
None
BDP  A1003 ( 4.4A)
None
None
 1.22A 3uawA-1n7rA:
undetectable		 3uawA-1n7rA:
15.58
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) 		9 MET A  65
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
ILE A 206
 ADN  A1237 (-4.1A)
SO4  A1236 ( 2.8A)
SO4  A1236 ( 3.0A)
ADN  A1237 (-3.4A)
ADN  A1237 (-4.9A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
ADN  A1237 ( 3.7A)
ADN  A1237 (-4.4A)
 0.28A 3uawA-1odiA:
37.3		 3uawA-1odiA:
40.17
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
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
ASP A 204
ILE A 206
 2FA  A 306 (-3.6A)
PO4  A 309 ( 2.8A)
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)
None
 0.46A 3uawA-1pk9A:
36.7		 3uawA-1pk9A:
55.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 THR A 115
GLY A 685
VAL A 705
GLU A 230
ILE A 708
 None
 1.23A 3uawA-1po0A:
undetectable		 3uawA-1po0A:
14.30
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.
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
 0.49A 3uawA-1t8wA:
25.0		 3uawA-1t8wA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wql ETHYLBENZENE
DIOXYGENASE SMALL
SUBUNIT
IRON-SULFUR PROTEIN
LARGE SUBUNIT OF
CUMENE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		5 THR B 101
GLY A 389
VAL A 393
GLU A 394
ILE A 217
 None
 1.25A 3uawA-1wqlB:
undetectable		 3uawA-1wqlB:
20.16
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.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		6 MET A  71
GLY A  98
VAL A 184
MET A 186
GLU A 187
SER A 209
 None
 0.93A 3uawA-1ybfA:
24.0		 3uawA-1ybfA:
25.81
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) 		10 MET A  64
ARG A  87
THR A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
ILE A 206
 2FD  A 300 (-3.8A)
2FD  A 300 ( 4.5A)
2FD  A 300 (-4.2A)
2FD  A 300 (-3.1A)
2FD  A 300 (-4.7A)
None
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
2FD  A 300 (-3.6A)
None
 0.51A 3uawA-1z34A:
23.8		 3uawA-1z34A:
47.66
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
ASP A 197
 MTM  A 301 (-3.6A)
None
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
MTM  A 301 (-3.4A)
MTM  A 301 (-2.9A)
 0.56A 3uawA-1zosA:
22.8		 3uawA-1zosA:
26.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bsx PURINE NUCLEOSIDE
PHOSPHORYLASE

(Plasmodium
falciparum) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
GLY A  93
VAL A 181
GLU A 182
MET A 183
GLU A 184
 NOS  A1248 ( 4.5A)
NOS  A1248 (-4.0A)
NOS  A1248 ( 4.4A)
None
NOS  A1248 (-3.4A)
NOS  A1248 (-3.1A)
 0.57A 3uawA-2bsxA:
32.3		 3uawA-2bsxA:
29.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5x BUGD

(Bordetella
pertussis) 		PF03401
(TctC) 		5 GLY A 224
VAL A 223
GLU A 222
ASP A  98
ILE A 225
 None
 1.22A 3uawA-2f5xA:
undetectable		 3uawA-2f5xA:
24.46
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.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		5 GLY A 246
VAL A 238
GLU A 237
GLU A  19
ILE A 432
 None
 1.14A 3uawA-2glfA:
undetectable		 3uawA-2glfA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ovj RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00620
(RhoGAP) 		5 MET A 491
GLY A 501
VAL A 528
GLU A 529
ILE A 504
 None
 1.15A 3uawA-2ovjA:
undetectable		 3uawA-2ovjA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qiw PEP PHOSPHONOMUTASE

(Corynebacterium
glutamicum) 		PF13714
(PEP_mutase) 		5 THR A 152
GLY A 150
VAL A 111
GLU A 112
ILE A 148
 None
 0.93A 3uawA-2qiwA:
undetectable		 3uawA-2qiwA:
24.33
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.
2r5f TRANSCRIPTIONAL
REGULATOR, PUTATIVE

(Pseudomonas
syringae group
genomosp. 3) 		PF04198
(Sugar-bind) 		5 THR A  84
VAL A  81
GLU A  82
SER A  91
ILE A  96
 None
 1.08A 3uawA-2r5fA:
undetectable		 3uawA-2r5fA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 THR A 210
GLY A 177
MET A 170
GLU A 165
ILE A 178
 None
 1.05A 3uawA-2wghA:
undetectable		 3uawA-2wghA:
17.81
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.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		7 MET A  87
ARG A 137
THR A 140
GLY A 142
GLU A 284
MET A 285
GLU A 286
 R1P  A 401 ( 3.9A)
R1P  A 401 (-3.0A)
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)
 0.43A 3uawA-3bjeA:
17.2		 3uawA-3bjeA:
26.00
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.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		6 MET A  87
GLY A 142
GLU A 284
MET A 285
GLU A 286
SER A 309
 R1P  A 401 ( 3.9A)
URA  A 501 (-3.4A)
R1P  A 401 ( 4.6A)
R1P  A 401 ( 3.9A)
R1P  A 401 (-2.6A)
URA  A 501 (-3.2A)
 1.27A 3uawA-3bjeA:
17.2		 3uawA-3bjeA:
26.00
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.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		7 GLY A  77
VAL A 170
GLU A 171
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 (-4.7A)
FMC  A 229 (-3.5A)
FMC  A 229 (-2.5A)
FMC  A 229 (-3.5A)
FMC  A 229 (-3.0A)
 0.46A 3uawA-3bl6A:
25.5		 3uawA-3bl6A:
25.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c0k UPF0064 PROTEIN YCCW

(Escherichia
coli) 		PF10672
(Methyltrans_SAM) 		5 ARG A 212
GLY A 203
VAL A 194
GLU A 187
ILE A 196
 None
 1.00A 3uawA-3c0kA:
undetectable		 3uawA-3c0kA:
20.40
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.
3cs3 SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Enterococcus
faecalis) 		PF13377
(Peripla_BP_3) 		5 GLY A 269
VAL A 272
GLU A 316
ASP A 237
ILE A 241
 None
 1.18A 3uawA-3cs3A:
undetectable		 3uawA-3cs3A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
ASP A 198
 BIG  A 301 (-3.7A)
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)
 0.51A 3uawA-3dp9A:
24.7		 3uawA-3dp9A:
24.80
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		7 GLY A  81
VAL A 175
GLU A 176
MET A 177
GLU A 178
SER A 200
ASP A 201
 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)
MTM  A 234 (-3.0A)
 0.51A 3uawA-3eeiA:
24.7		 3uawA-3eeiA:
24.70
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		6 ARG A  89
GLY A  94
VAL A 182
GLU A 183
MET A 184
GLU A 185
 SO4  A 254 (-3.2A)
None
None
None
None
None
 0.47A 3uawA-3emvA:
32.8		 3uawA-3emvA:
26.74
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		5 VAL A 182
GLU A 183
MET A 184
GLU A 185
ASP A 207
 None
 0.88A 3uawA-3emvA:
32.8		 3uawA-3emvA:
26.74
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.
3eoq PUTATIVE ZINC
PROTEASE

(Thermus
thermophilus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 THR A 158
GLY A  43
VAL A 155
GLU A 139
SER A 161
 None
 1.13A 3uawA-3eoqA:
undetectable		 3uawA-3eoqA:
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.
3euf URIDINE
PHOSPHORYLASE 1

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		7 MET A 110
ARG A 138
THR A 141
GLY A 143
GLU A 248
MET A 249
GLU A 250
 BAU  A 400 (-3.5A)
PO4  A 401 (-3.0A)
PO4  A 401 ( 3.0A)
BAU  A 400 (-3.3A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
 0.40A 3uawA-3eufA:
24.1		 3uawA-3eufA:
24.33
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A  77
VAL A  75
GLU A  76
ASP A  94
ILE A  93
 None
 1.14A 3uawA-3fbsA:
undetectable		 3uawA-3fbsA:
24.37
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.
3g7k 3-METHYLITACONATE
ISOMERASE

(Eubacterium
barkeri) 		PF04303
(PrpF) 		5 ARG A 362
GLY A 342
VAL A 343
ASP A 275
ILE A 282
 None
 1.22A 3uawA-3g7kA:
undetectable		 3uawA-3g7kA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		7 MET A 109
ARG A 137
THR A 140
GLY A 142
GLU A 247
MET A 248
GLU A 249
 R2B  A 313 (-3.9A)
SO4  A 311 ( 3.0A)
SO4  A 311 ( 3.1A)
URA  A 312 (-3.3A)
R2B  A 313 ( 4.4A)
URA  A 312 ( 3.7A)
R2B  A 313 (-2.6A)
 0.36A 3uawA-3kvyA:
24.4		 3uawA-3kvyA:
25.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lgs 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASES

(Arabidopsis
thaliana) 		PF01048
(PNP_UDP_1) 		5 THR A 116
GLY A 118
MET A 201
GLU A 202
ASP A 225
 SAH  A 268 (-3.8A)
ADE  A 269 ( 3.6A)
SAH  A 268 ( 3.3A)
SAH  A 268 (-3.1A)
ADE  A 269 ( 3.0A)
 0.53A 3uawA-3lgsA:
21.1		 3uawA-3lgsA:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mb8 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Toxoplasma
gondii) 		PF01048
(PNP_UDP_1) 		5 ARG A  93
GLY A  98
MET A 187
GLU A 188
ASP A 210
 PO4  A 281 ( 3.0A)
IMH  A 280 (-3.2A)
IMH  A 280 (-3.8A)
IMH  A 280 (-2.5A)
IMH  A 280 (-2.9A)
 1.00A 3uawA-3mb8A:
32.7		 3uawA-3mb8A:
28.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mb8 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Toxoplasma
gondii) 		PF01048
(PNP_UDP_1) 		5 ARG A  93
THR A  96
GLY A  98
MET A 187
GLU A 188
 PO4  A 281 ( 3.0A)
PO4  A 281 ( 3.2A)
IMH  A 280 (-3.2A)
IMH  A 280 (-3.8A)
IMH  A 280 (-2.5A)
 0.27A 3uawA-3mb8A:
32.7		 3uawA-3mb8A:
28.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		7 GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
ASP A 197
 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)
4CT  A 233 (-2.9A)
 0.45A 3uawA-3o4vA:
24.2		 3uawA-3o4vA:
22.22
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)
 1.43A 3uawA-3of3A:
38.2		 3uawA-3of3A:
54.62
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) 		10 MET A  78
ARG A 101
GLY A 106
VAL A 192
GLU A 193
MET A 194
GLU A 195
SER A 217
ASP A 218
ILE A 220
 DIH  A 500 (-3.6A)
PO4  A 501 (-2.8A)
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)
None
 0.42A 3uawA-3of3A:
38.2		 3uawA-3of3A:
54.62
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.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		7 MET A 116
ARG A 144
THR A 147
GLY A 149
GLU A 254
MET A 255
GLU A 256
 BAU  A 400 (-3.4A)
None
BAU  A 400 (-4.5A)
BAU  A 400 (-3.5A)
None
BAU  A 400 (-3.9A)
None
 0.48A 3uawA-3p0fA:
23.8		 3uawA-3p0fA:
27.73
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) 		6 ARG A  94
THR A  97
GLY A  99
GLU A 196
MET A 197
GLU A 198
 R1P  A1254 (-3.1A)
R1P  A1254 (-3.0A)
URA  A1255 (-3.2A)
R1P  A1254 ( 4.4A)
R1P  A1254 (-3.9A)
R1P  A1254 (-2.6A)
 0.34A 3uawA-3qpbA:
31.5		 3uawA-3qpbA:
31.10
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.
3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		5 THR A  44
GLY A  46
VAL A  53
SER A  27
ILE A  48
 None
 1.23A 3uawA-3t94A:
4.1		 3uawA-3t94A:
27.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tl6 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Entamoeba
histolytica) 		PF01048
(PNP_UDP_1) 		8 MET A  69
ARG A  92
GLY A  97
VAL A 182
GLU A 183
MET A 184
GLU A 185
SER A 207
 None
SO4  A 239 (-3.2A)
None
None
None
None
SO4  A 239 ( 4.4A)
None
 0.61A 3uawA-3tl6A:
35.5		 3uawA-3tl6A:
45.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tl6 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Entamoeba
histolytica) 		PF01048
(PNP_UDP_1) 		8 MET A  69
ARG A  92
VAL A 182
GLU A 183
MET A 184
GLU A 185
SER A 207
ASP A 208
 None
SO4  A 239 (-3.2A)
None
None
None
SO4  A 239 ( 4.4A)
None
None
 0.80A 3uawA-3tl6A:
35.5		 3uawA-3tl6A:
45.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		8 ARG A  87
THR A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A  94
 SO4  A 236 (-2.7A)
SO4  A 236 (-3.0A)
None
None
None
None
SO4  A 236 ( 4.4A)
None
 1.37A 3uawA-3uavA:
43.0		 3uawA-3uavA:
100.00
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) 		10 MET A  64
ARG A  87
THR A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
ILE A 206
 None
SO4  A 236 (-2.7A)
SO4  A 236 (-3.0A)
None
None
None
None
SO4  A 236 ( 4.4A)
None
None
 0.35A 3uawA-3uavA:
43.0		 3uawA-3uavA:
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.
4aut DECAPRENYL-PHOSPHORY
L-BETA-D-RIBOFURANOS
E-2-OXIDOREDUCTASE

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLY A 150
VAL A 153
SER A 148
ASP A 137
ILE A 134
 None
 1.21A 3uawA-4autA:
undetectable		 3uawA-4autA:
20.00
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) 		6 ARG A  87
GLY A 176
VAL A 177
GLU A 178
GLU A 180
ILE A  94
 None
None
ADE  A 301 (-4.4A)
None
None
None
 1.49A 3uawA-4daoA:
38.3		 3uawA-4daoA:
71.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		8 MET A  64
ARG A  87
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 None
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
 0.40A 3uawA-4daoA:
38.3		 3uawA-4daoA:
71.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		8 MET A  64
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
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)
 0.67A 3uawA-4daoA:
38.3		 3uawA-4daoA:
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.
4g3t OXIDOREDUCTASE DPRE1

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLY A 150
VAL A 153
SER A 148
ASP A 137
ILE A 134
 None
 1.22A 3uawA-4g3tA:
undetectable		 3uawA-4g3tA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.90A 3uawA-4g41A:
23.9		 3uawA-4g41A:
25.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 VAL A 171
GLU A 172
MET A 173
GLU A 174
ILE A 158
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
ILE  A 158 ( 0.7A)
 0.95A 3uawA-4g41A:
23.9		 3uawA-4g41A:
25.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.80A 3uawA-4g41A:
23.9		 3uawA-4g41A:
25.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 THR A 280
VAL A 162
SER A 278
ASP A 144
ILE A 160
 None
 1.19A 3uawA-4ineA:
undetectable		 3uawA-4ineA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jn6 ACETALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 GLY B 276
VAL B 264
GLU B 263
ASP B 279
ILE B 280
 None
 1.24A 3uawA-4jn6B:
2.1		 3uawA-4jn6B:
21.74
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.
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)
 0.47A 3uawA-4josA:
23.9		 3uawA-4josA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jwo PHOSPHATE BINDING
PROTEIN

(Planctopirus
limnophila) 		PF12727
(PBP_like) 		5 THR A  95
GLY A 111
GLU A 120
SER A  65
ILE A 285
 SO4  A 401 (-3.6A)
None
None
SO4  A 401 (-2.9A)
None
 1.23A 3uawA-4jwoA:
undetectable		 3uawA-4jwoA:
23.74
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.
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)
 0.44A 3uawA-4jwtA:
23.5		 3uawA-4jwtA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A  78
GLU A 173
MET A 174
GLU A 175
SER A 197
 EDO  A 301 (-3.3A)
None
None
None
None
 0.90A 3uawA-4kn5A:
23.1		 3uawA-4kn5A:
24.81
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.
4kw5 OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLY A 143
VAL A 146
SER A 141
ASP A 130
ILE A 127
 None
 1.24A 3uawA-4kw5A:
undetectable		 3uawA-4kw5A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 GLY A  81
VAL A 178
GLU A 181
SER A 203
ILE A  83
 ADE  A 301 (-3.6A)
None
None
ADE  A 301 (-3.1A)
None
 1.21A 3uawA-4l0mA:
23.3		 3uawA-4l0mA:
24.81
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.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		6 GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.49A 3uawA-4l0mA:
23.3		 3uawA-4l0mA:
24.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
GLY A  93
VAL A 179
GLU A 180
GLU A 182
ILE A  95
 PO4  A 301 (-2.9A)
None
None
None
PO4  A 301 ( 4.7A)
None
 1.35A 3uawA-4ldnA:
38.3		 3uawA-4ldnA:
46.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
GLY A 178
VAL A 179
GLU A 180
GLU A 182
ILE A  95
 PO4  A 301 (-2.9A)
None
None
None
PO4  A 301 ( 4.7A)
None
 1.39A 3uawA-4ldnA:
38.3		 3uawA-4ldnA:
46.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		6 MET A  65
ARG A  88
GLU A 180
GLU A 182
ASP A 205
ILE A 207
 None
PO4  A 301 (-2.9A)
None
PO4  A 301 ( 4.7A)
None
None
 0.85A 3uawA-4ldnA:
38.3		 3uawA-4ldnA:
46.36
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
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
ILE A 207
 None
PO4  A 301 (-2.9A)
None
None
None
None
PO4  A 301 ( 4.7A)
None
 0.52A 3uawA-4ldnA:
38.3		 3uawA-4ldnA:
46.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lkr PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		6 MET A  64
ARG A  87
GLY A  92
MET A 180
GLU A 181
SER A 203
 None
 0.58A 3uawA-4lkrA:
36.8		 3uawA-4lkrA:
47.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 GLY B 295
VAL B 283
GLU B 282
ASP B 298
ILE B 299
 None
None
GOL  B 406 ( 4.7A)
None
None
 1.19A 3uawA-4lrsB:
undetectable		 3uawA-4lrsB:
20.47
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) 		8 MET A  64
THR A  90
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
 0.61A 3uawA-4m3nA:
39.2		 3uawA-4m3nA:
56.08
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 THR A  90
GLY A  92
VAL A 178
GLU A 179
GLU A 181
ILE A  94
 None
 1.46A 3uawA-4m3nA:
39.2		 3uawA-4m3nA:
56.08
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) 		10 MET A  65
ARG A  88
THR A  91
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)
PO4  A 400 (-3.5A)
None
None
None
None
PO4  A 400 ( 4.4A)
None
None
 0.52A 3uawA-4m7wA:
39.5		 3uawA-4m7wA:
61.63
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) 		6 MET A 181
ARG A  88
THR A  91
GLU A 182
SER A 204
ASP A 205
 None
PO4  A 400 (-3.0A)
PO4  A 400 (-3.5A)
PO4  A 400 ( 4.4A)
None
None
 1.48A 3uawA-4m7wA:
39.5		 3uawA-4m7wA:
61.63
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		6 GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.51A 3uawA-4pr3A:
7.5		 3uawA-4pr3A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 7 GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 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)
 0.61A 3uawA-4qezB:
23.7		 3uawA-4qezB:
24.90
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.
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
 0.46A 3uawA-4qfbA:
17.8		 3uawA-4qfbA:
20.78
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
THR A  91
GLY A  93
GLU A 193
MET A 194
GLU A 195
 SO4  A 302 ( 2.8A)
SO4  A 302 ( 3.0A)
None
GOL  A 303 (-4.9A)
GOL  A 303 (-3.5A)
GOL  A 303 (-2.9A)
 0.32A 3uawA-4r2wA:
30.7		 3uawA-4r2wA:
34.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Streptococcus
agalactiae) 		PF01048
(PNP_UDP_1) 		6 ARG A 109
THR A 112
GLY A 114
GLU A 201
GLU A 203
ILE A 116
 SO4  A 301 (-2.8A)
SO4  A 301 (-3.7A)
None
None
SO4  A 301 ( 4.4A)
None
 1.36A 3uawA-4tymA:
25.4		 3uawA-4tymA:
53.49
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) 		5 ARG A 109
THR A 112
VAL A 126
SER A 225
ILE A 120
 SO4  A 301 (-2.8A)
SO4  A 301 (-3.7A)
None
None
None
 1.19A 3uawA-4tymA:
25.4		 3uawA-4tymA:
53.49
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
THR A 112
GLY A 114
GLU A 201
MET A 202
GLU A 203
SER A 225
 None
SO4  A 301 (-2.8A)
SO4  A 301 (-3.7A)
None
None
None
SO4  A 301 ( 4.4A)
None
 0.54A 3uawA-4tymA:
25.4		 3uawA-4tymA:
53.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xru HEN1

(Capnocytophaga
gingivalis) 		no annotation 5 GLY C 271
VAL C 339
GLU C 338
ASP C 269
ILE C 270
 SAH  C 501 (-3.4A)
SAH  C 501 ( 3.8A)
None
None
None
 1.18A 3uawA-4xruC:
undetectable		 3uawA-4xruC:
19.31
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.
4y0w YEAZ

(Pseudomonas
aeruginosa) 		PF00814
(Peptidase_M22) 		5 GLY A  63
VAL A  93
GLU A 141
SER A  10
ASP A   8
 None
None
None
NA  A 302 (-3.5A)
NA  A 302 (-3.6A)
 0.95A 3uawA-4y0wA:
undetectable		 3uawA-4y0wA:
23.05
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.
4z3l MAJOR POLLEN
ALLERGEN BET V 1-A

(Betula pendula) 		PF00407
(Bet_v_1) 		5 ARG A 145
THR A  10
GLY A 111
GLU A 148
ASP A 109
 None
 1.24A 3uawA-4z3lA:
undetectable		 3uawA-4z3lA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 THR A 104
GLY A 106
GLU A 219
MET A 220
GLU A 221
SER A 243
 SAH  A 301 (-4.3A)
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)
 0.34A 3uawA-5b7nA:
24.3		 3uawA-5b7nA:
26.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyf PUTATIVE URIDINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 ARG A 121
THR A 124
GLU A 232
MET A 233
GLU A 234
 FLC  A 301 (-3.0A)
FLC  A 301 (-3.7A)
None
None
FLC  A 301 (-2.8A)
 0.35A 3uawA-5cyfA:
23.5		 3uawA-5cyfA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		7 GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.47A 3uawA-5dk6A:
24.0		 3uawA-5dk6A:
24.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iz1 FRUCTOSE-1,6-BISPHOS
PHATASE

(Physcomitrella
patens) 		PF00316
(FBPase) 		5 THR A 278
GLY A 276
VAL A 267
SER A 289
ILE A 293
 None
 0.88A 3uawA-5iz1A:
undetectable		 3uawA-5iz1A:
21.87
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.
5iz1 FRUCTOSE-1,6-BISPHOS
PHATASE

(Physcomitrella
patens) 		PF00316
(FBPase) 		5 THR A 278
VAL A 267
MET A 259
SER A 289
ILE A 293
 None
 0.93A 3uawA-5iz1A:
undetectable		 3uawA-5iz1A:
21.87
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)
 0.38A 3uawA-5k1zA:
24.6		 3uawA-5k1zA:
21.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 ARG A  90
THR A  93
GLY A  95
GLU A 195
MET A 196
GLU A 197
 SO4  A 301 ( 3.0A)
SO4  A 301 ( 2.9A)
URI  A 303 ( 3.4A)
URI  A 303 ( 4.6A)
URI  A 303 ( 3.7A)
URI  A 303 (-2.7A)
 0.32A 3uawA-5lhvA:
14.1		 3uawA-5lhvA:
33.46
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.
5of4 GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 2

(Homo sapiens) 		PF04056
(Ssl1) 		5 THR E  70
GLY E  67
GLU E  72
SER E 172
ASP E  66
 None
 1.15A 3uawA-5of4E:
2.6		 3uawA-5of4E:
19.90
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 THR A 210
GLY A 177
MET A 170
GLU A 165
ILE A 178
 None
 1.00A 3uawA-5tusA:
undetectable		 3uawA-5tusA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		7 GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
ASP A 198
 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)
 0.57A 3uawA-5ue1A:
24.9		 3uawA-5ue1A:
24.10
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.
5uoh CARBOXYLESTERASE A

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 GLY A 202
VAL A 206
SER A 442
ASP A 395
ILE A 391
 None
 1.11A 3uawA-5uohA:
undetectable		 3uawA-5uohA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cr0 (S)-6-HYDROXYNICOTIN
E OXIDASE

(Shinella sp.
HZN7) 		no annotation 5 THR A 407
GLY A 417
GLU A 286
SER A 421
ILE A 415
 None
None
None
None
FAD  A 507 (-3.7A)
 1.14A 3uawA-6cr0A:
undetectable		 3uawA-6cr0A:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g7x -

(-) 		no annotation 6 ARG A  87
THR A  90
GLY A  92
GLU A 179
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
PO4  A 304 ( 4.7A)
None
 1.39A 3uawA-6g7xA:
38.0		 3uawA-6g7xA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g7x -

(-) 		no annotation 8 MET A  64
ARG A  87
THR A  90
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
PO4  A 304 (-2.8A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.60A 3uawA-6g7xA:
38.0		 3uawA-6g7xA:
undetectable