SIMILAR PATTERNS OF AMINO ACIDS FOR 1PWY_E_AC2E290_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Geobacillus
stearothermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLY A  88
VAL A  87
GLY A  86
THR A  90
VAL A 247
 CA  A3001 (-3.4A)
None
None
CA  A3001 (-4.0A)
None
 1.30A 1pwyE-1brwA:
undetectable		 1pwyE-1brwA:
23.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c3x PENTOSYLTRANSFERASE

(Cellulomonas
sp.) 		PF01048
(PNP_UDP_1) 		6 GLY A 137
GLU A 204
VAL A 220
GLY A 221
MET A 222
THR A 245
 8IG  A 306 (-3.3A)
8IG  A 306 (-2.8A)
8IG  A 306 (-4.6A)
8IG  A 306 (-3.4A)
8IG  A 306 (-4.0A)
8IG  A 306 (-3.0A)
 0.61A 1pwyE-1c3xA:
30.6		 1pwyE-1c3xA:
35.35
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.
1cit PROTEIN (ORPHAN
NUCLEAR RECEPTOR
NGFI-B)

(Rattus
norvegicus) 		PF00105
(zf-C4) 		5 GLY A 296
PHE A 256
VAL A 246
GLY A 245
VAL A 295
 None
 1.28A 1pwyE-1citA:
undetectable		 1pwyE-1citA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k82 FORMAMIDOPYRIMIDINE-
DNA GLYCOSYLASE

(Escherichia
coli) 		PF01149
(Fapy_DNA_glyco)
PF06827
(zf-FPG_IleRS)
PF06831
(H2TH) 		5 GLY A 165
VAL A 166
GLY A 167
ASN A 160
VAL A 163
 None
 1.29A 1pwyE-1k82A:
undetectable		 1pwyE-1k82A:
19.09
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 PHE A 372
VAL A 331
GLY A 332
THR A 304
HIS A 357
 None
 1.14A 1pwyE-1mz5A:
undetectable		 1pwyE-1mz5A:
18.77
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.
1v4n 271AA LONG
HYPOTHETICAL
5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfurisphaera
tokodaii) 		PF01048
(PNP_UDP_1) 		5 GLY A  95
PHE A 171
GLY A 190
MET A 191
THR A 214
 None
 0.46A 1pwyE-1v4nA:
24.7		 1pwyE-1v4nA:
26.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vfn PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		9 GLY A 118
PHE A 200
GLU A 201
VAL A 217
GLY A 218
MET A 219
THR A 242
ASN A 243
HIS A 257
 HPA  A 300 (-3.6A)
HPA  A 300 (-4.7A)
HPA  A 300 ( 2.8A)
HPA  A 300 (-4.5A)
HPA  A 300 (-3.6A)
HPA  A 300 (-4.4A)
HPA  A 300 (-4.5A)
HPA  A 300 ( 2.9A)
None
 0.68A 1pwyE-1vfnA:
41.2		 1pwyE-1vfnA:
88.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vfn PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		6 GLY A 218
PHE A 200
GLU A 201
GLY A 197
VAL A 217
HIS A 257
 HPA  A 300 (-3.6A)
HPA  A 300 (-4.7A)
HPA  A 300 ( 2.8A)
None
HPA  A 300 (-4.5A)
None
 1.16A 1pwyE-1vfnA:
41.2		 1pwyE-1vfnA:
88.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		7 GLY A 113
GLU A 186
VAL A 202
GLY A 203
MET A 204
THR A 227
ASN A 228
 GUN  A 300 (-3.5A)
GUN  A 300 (-2.7A)
GUN  A 300 (-4.2A)
GUN  A 300 (-3.4A)
GUN  A 300 (-4.3A)
GUN  A 300 (-3.6A)
GUN  A 300 (-3.3A)
 0.43A 1pwyE-1vmkA:
34.2		 1pwyE-1vmkA:
42.95
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.
1vr0 PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Clostridium
acetobutylicum) 		PF04029
(2-ph_phosp) 		5 GLY A 121
VAL A 129
GLY A 126
THR A  31
VAL A  23
 None
 1.34A 1pwyE-1vr0A:
undetectable		 1pwyE-1vr0A:
22.29
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.
1wta 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Aeropyrum
pernix) 		PF01048
(PNP_UDP_1) 		5 GLY A  98
PHE A 175
GLY A 194
MET A 195
THR A 218
 ADE  A1300 (-3.5A)
ADE  A1300 (-4.7A)
ADE  A1300 (-3.5A)
ADE  A1300 (-4.4A)
ADE  A1300 (-4.3A)
 0.38A 1pwyE-1wtaA:
24.4		 1pwyE-1wtaA:
23.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		8 GLY A 119
PHE A 196
GLU A 197
VAL A 213
GLY A 214
MET A 215
THR A 238
ASN A 239
 GUN  A 400 (-3.5A)
None
GUN  A 400 (-2.8A)
GUN  A 400 ( 4.7A)
GUN  A 400 (-3.5A)
GUN  A 400 (-4.1A)
GUN  A 400 (-3.7A)
GUN  A 400 (-3.2A)
 0.56A 1pwyE-1yqqA:
36.2		 1pwyE-1yqqA:
42.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yqq XANTHOSINE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		7 PHE A 196
GLU A 197
VAL A 213
GLY A 214
MET A 215
THR A 238
HIS A 251
 None
GUN  A 400 (-2.8A)
GUN  A 400 ( 4.7A)
GUN  A 400 (-3.5A)
GUN  A 400 (-4.1A)
GUN  A 400 (-3.7A)
None
 0.86A 1pwyE-1yqqA:
36.2		 1pwyE-1yqqA:
42.09
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.
1zyo SERINE PROTEASE

(Sesbania mosaic
virus) 		PF02122
(Peptidase_S39) 		5 GLY A 310
VAL A 299
GLY A 300
THR A 274
VAL A 311
 None
None
GOL  A 500 ( 4.7A)
None
None
 1.16A 1pwyE-1zyoA:
undetectable		 1pwyE-1zyoA:
21.03
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.
2c1c CARBOXYPEPTIDASE B

(Helicoverpa zea) 		PF00246
(Peptidase_M14) 		5 GLY A 296
VAL A 299
GLY A 300
THR A 293
VAL A 229
 None
 1.07A 1pwyE-2c1cA:
6.2		 1pwyE-2c1cA:
20.30
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.
2d1p HYPOTHETICAL UPF0163
PROTEIN YHEN

(Escherichia
coli) 		PF02635
(DrsE) 		5 VAL A  73
GLY A  72
THR A 108
ASN A  76
VAL A  37
 None
 1.08A 1pwyE-2d1pA:
undetectable		 1pwyE-2d1pA:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p4s PURINE NUCLEOSIDE
PHOSPHORYLASE

(Anopheles
gambiae) 		PF01048
(PNP_UDP_1) 		8 GLY A 203
PHE A 285
GLU A 286
GLY A 303
MET A 304
THR A 327
ASN A 328
HIS A 342
 DIH  A 401 (-3.4A)
DIH  A 401 (-4.6A)
DIH  A 401 (-2.8A)
DIH  A 401 (-3.4A)
DIH  A 401 (-3.5A)
DIH  A 401 (-4.2A)
DIH  A 401 (-3.1A)
DIH  A 401 (-3.6A)
 0.71A 1pwyE-2p4sA:
40.6		 1pwyE-2p4sA:
42.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rad SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		5 GLY A  81
GLU A 113
THR A 341
ASN A 307
VAL A 310
 None
 1.31A 1pwyE-2radA:
2.3		 1pwyE-2radA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vri NON-STRUCTURAL
PROTEIN 3

(Human
coronavirus
NL63) 		PF01661
(Macro) 		5 GLY A  71
GLU A  34
VAL A  87
GLY A  88
HIS A  94
 None
 1.20A 1pwyE-2vriA:
undetectable		 1pwyE-2vriA:
21.03
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		5 GLY A 224
GLU A 195
VAL A 232
GLY A 198
HIS A 192
 None
 1.15A 1pwyE-2whlA:
undetectable		 1pwyE-2whlA:
22.08
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.
2wl1 PYRIN

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		5 VAL A 659
GLY A 660
THR A 735
ASN A 733
VAL A 718
 None
 1.25A 1pwyE-2wl1A:
undetectable		 1pwyE-2wl1A:
20.30
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.
2wpm COAGULATION FACTOR
IXA HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY S  43
PHE S  41
GLY S 193
THR S  54
VAL S  32
 None
 1.32A 1pwyE-2wpmS:
undetectable		 1pwyE-2wpmS:
21.67
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 GLY A 214
VAL A 143
GLY A 142
THR A  89
VAL A 188
 None
None
None
CD  A1907 (-3.4A)
None
 1.23A 1pwyE-2x05A:
undetectable		 1pwyE-2x05A:
13.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yew CAPSID PROTEIN

(Barmah Forest
virus) 		PF00944
(Peptidase_S3) 		5 GLY A 117
GLY A 206
THR A 135
ASN A 116
VAL A 115
 None
 1.30A 1pwyE-2yewA:
undetectable		 1pwyE-2yewA:
19.14
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.
2z4t BETA-GALACTOSIDE
ALPHA-2,6-SIALYLTRAN
SFERASE

(Photobacterium
sp. JT-ISH-224) 		PF11477
(PM0188) 		5 GLY A 446
VAL A 464
THR A 360
VAL A 381
HIS A 405
 None
None
C5P  A1427 ( 4.5A)
None
C5P  A1427 (-3.9A)
 1.24A 1pwyE-2z4tA:
2.7		 1pwyE-2z4tA:
18.10
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.
3alx HEMAGGLUTININ,LINKER
,CDW150

(Measles
morbillivirus;
Saguinus
oedipus;
synthetic
construct) 		PF00423
(HN)
PF06214
(SLAM) 		5 GLY A 229
VAL A 257
GLY A 258
MET A 272
THR A 221
 None
 1.24A 1pwyE-3alxA:
undetectable		 1pwyE-3alxA:
19.06
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.
3baz HYDROXYPHENYLPYRUVAT
E REDUCTASE

(Plectranthus
scutellarioides) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 252
VAL A 226
GLY A 225
ASN A 273
VAL A 115
 None
 1.23A 1pwyE-3bazA:
undetectable		 1pwyE-3bazA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		5 GLY A  90
VAL A 117
GLY A 118
VAL A  89
HIS A   8
 None
None
None
None
ZN  A 302 (-3.3A)
 1.14A 1pwyE-3cjpA:
undetectable		 1pwyE-3cjpA:
21.73
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.
3dcp HISTIDINOL-PHOSPHATA
SE

(Listeria
monocytogenes) 		PF02811
(PHP)
PF13263
(PHP_C) 		5 GLY A   5
GLU A 220
GLY A 118
VAL A 254
HIS A 181
 None
None
None
None
FE  A 310 (-3.5A)
 1.34A 1pwyE-3dcpA:
undetectable		 1pwyE-3dcpA:
20.06
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.
3ddj CBS
DOMAIN-CONTAINING
PROTEIN

(Sulfolobus
solfataricus) 		PF00571
(CBS) 		5 VAL A 173
GLY A 182
THR A 185
ASN A 188
VAL A 210
 None
 1.27A 1pwyE-3ddjA:
undetectable		 1pwyE-3ddjA:
23.49
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.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 GLY D 174
PHE D 135
VAL D 125
GLY D 124
VAL D 173
 None
 1.24A 1pwyE-3dzuD:
undetectable		 1pwyE-3dzuD:
20.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e9z PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		8 GLY A 120
GLU A 203
VAL A 219
GLY A 220
MET A 221
THR A 244
ASN A 245
HIS A 259
 6GU  A 704 (-2.9A)
6GU  A 704 (-2.4A)
6GU  A 704 ( 4.3A)
6GU  A 704 (-3.4A)
6GU  A 704 (-3.7A)
6GU  A 704 (-3.7A)
6GU  A 704 (-2.7A)
None
 0.61A 1pwyE-3e9zA:
41.0		 1pwyE-3e9zA:
48.62
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 GLY A 432
PHE A  33
VAL A 455
MET A 457
HIS A 407
 None
 1.27A 1pwyE-3eqnA:
undetectable		 1pwyE-3eqnA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hr8 PROTEIN RECA

(Thermotoga
maritima) 		PF00154
(RecA) 		5 GLY A  57
VAL A  55
GLY A  54
THR A  44
VAL A  41
 None
 1.30A 1pwyE-3hr8A:
undetectable		 1pwyE-3hr8A:
22.10
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.
3io0 ETUB PROTEIN

(Clostridium
kluyveri) 		PF00936
(BMC) 		5 GLY A  91
GLU A 175
VAL A  82
THR A  89
VAL A 174
 None
 1.17A 1pwyE-3io0A:
undetectable		 1pwyE-3io0A:
23.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF01048
(PNP_UDP_1) 		7 GLY A 122
GLU A 189
VAL A 205
GLY A 206
MET A 207
THR A 230
ASN A 231
 GNG  A 800 (-3.6A)
GNG  A 800 (-2.9A)
GNG  A 800 (-4.4A)
GNG  A 800 (-3.6A)
GNG  A 800 (-3.4A)
GNG  A 800 (-3.9A)
GNG  A 800 (-2.8A)
 0.52A 1pwyE-3iomA:
34.0		 1pwyE-3iomA:
38.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF01048
(PNP_UDP_1) 		7 GLY A 122
GLU A 189
VAL A 205
GLY A 206
THR A 230
ASN A 231
HIS A 243
 GNG  A 800 (-3.6A)
GNG  A 800 (-2.9A)
GNG  A 800 (-4.4A)
GNG  A 800 (-3.6A)
GNG  A 800 (-3.9A)
GNG  A 800 (-2.8A)
GNG  A 800 (-3.3A)
 0.73A 1pwyE-3iomA:
34.0		 1pwyE-3iomA:
38.00
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.
3jug BETA-MANNANASE

(Bacillus sp.
N16-5) 		PF00150
(Cellulase) 		5 GLY A 255
GLU A 226
VAL A 263
GLY A 229
HIS A 223
 None
 1.14A 1pwyE-3jugA:
undetectable		 1pwyE-3jugA:
22.01
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		5 GLY A 235
VAL A 236
GLY A 237
MET A 238
THR A 128
 None
None
None
None
NAD  A 400 (-2.7A)
 1.09A 1pwyE-3jzdA:
undetectable		 1pwyE-3jzdA:
21.49
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.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		5 GLY A 415
VAL A 412
GLY A 411
ASN A 387
VAL A 397
 None
 1.18A 1pwyE-3ka7A:
undetectable		 1pwyE-3ka7A:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		7 GLY A 115
PHE A 197
GLU A 198
VAL A 214
GLY A 215
MET A 216
ASN A 240
 None
TRS  A 294 (-4.9A)
None
None
TRS  A 294 ( 3.9A)
TRS  A 294 (-3.7A)
None
 0.52A 1pwyE-3khsA:
37.7		 1pwyE-3khsA:
49.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		5 GLY A 215
PHE A 197
GLU A 198
VAL A 192
GLY A 194
 TRS  A 294 ( 3.9A)
TRS  A 294 (-4.9A)
None
None
None
 1.11A 1pwyE-3khsA:
37.7		 1pwyE-3khsA:
49.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		5 GLY A 215
PHE A 197
VAL A 192
GLY A 194
VAL A 214
 TRS  A 294 ( 3.9A)
TRS  A 294 (-4.9A)
None
None
None
 1.22A 1pwyE-3khsA:
37.7		 1pwyE-3khsA:
49.13
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.
3mog PROBABLE
3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Escherichia
coli) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A 140
PHE A 189
GLY A 158
THR A 118
VAL A 155
 None
 1.14A 1pwyE-3mogA:
undetectable		 1pwyE-3mogA:
19.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3odg XANTHOSINE
PHOSPHORYLASE

(Yersinia
pseudotuberculosis) 		PF01048
(PNP_UDP_1) 		8 GLY A 127
PHE A 204
GLU A 205
VAL A 221
GLY A 222
MET A 223
THR A 246
ASN A 247
 XAN  A 288 (-3.5A)
None
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.8A)
XAN  A 288 (-3.0A)
 0.63A 1pwyE-3odgA:
36.4		 1pwyE-3odgA:
40.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3odg XANTHOSINE
PHOSPHORYLASE

(Yersinia
pseudotuberculosis) 		PF01048
(PNP_UDP_1) 		7 PHE A 204
GLU A 205
VAL A 221
GLY A 222
MET A 223
THR A 246
HIS A 259
 None
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.8A)
None
 0.86A 1pwyE-3odgA:
36.4		 1pwyE-3odgA:
40.59
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.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		6 GLY A 102
GLU A 181
VAL A 197
GLY A 198
MET A 199
ASN A 223
 HPA  A 260 (-3.7A)
HPA  A 260 (-2.9A)
HPA  A 260 (-4.3A)
HPA  A 260 (-3.3A)
HPA  A 260 (-4.3A)
HPA  A 260 (-3.0A)
 0.52A 1pwyE-3ozbA:
23.4		 1pwyE-3ozbA:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ro8 ENDO-1,4-BETA-XYLANA
SE

(Paenibacillus
sp. JDR-2) 		PF00331
(Glyco_hydro_10) 		5 GLY A 228
VAL A 229
GLY A 230
MET A 231
VAL A 256
 None
 1.02A 1pwyE-3ro8A:
undetectable		 1pwyE-3ro8A:
21.43
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.
3t94 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE
(MTAP)

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		5 GLY A  94
PHE A 170
GLY A 189
MET A 190
THR A 213
 MTA  A 901 (-3.6A)
MTA  A 901 (-4.9A)
MTA  A 901 (-3.5A)
MTA  A 901 (-3.9A)
MTA  A 901 ( 4.7A)
 0.40A 1pwyE-3t94A:
25.6		 1pwyE-3t94A:
29.15
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.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		5 GLY A 494
VAL A 439
GLY A 438
THR A 405
VAL A 477
 None
 1.10A 1pwyE-3thcA:
undetectable		 1pwyE-3thcA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 GLY A 930
PHE A 927
GLY A1004
THR A 934
VAL A 929
 None
 1.15A 1pwyE-3w9hA:
undetectable		 1pwyE-3w9hA:
15.70
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.
3wuf ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
sp.) 		PF00331
(Glyco_hydro_10) 		5 GLY A 237
VAL A 238
GLY A 239
MET A 240
VAL A 265
 None
 1.07A 1pwyE-3wufA:
undetectable		 1pwyE-3wufA:
21.32
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.
3zok 3-DEHYDROQUINATE
SYNTHASE

(Actinidia
chinensis) 		PF01761
(DHQ_synthase) 		5 GLU A  87
VAL A 120
GLY A 119
ASN A 166
HIS A 261
 NAD  A1381 (-3.2A)
NAD  A1381 (-3.8A)
NAD  A1381 (-3.1A)
PO4  A1379 ( 3.6A)
PO4  A1379 ( 4.3A)
 1.22A 1pwyE-3zokA:
undetectable		 1pwyE-3zokA:
22.72
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A1083
PHE A 919
GLU A1266
GLY A1013
THR A1081
 MTE  A3003 (-3.6A)
None
MOS  A3004 (-4.3A)
None
None
 1.32A 1pwyE-3zyvA:
undetectable		 1pwyE-3zyvA:
12.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cg4 PYRIN

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		5 VAL A 659
GLY A 660
THR A 735
ASN A 733
VAL A 718
 None
 1.28A 1pwyE-4cg4A:
undetectable		 1pwyE-4cg4A:
20.35
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.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		5 GLY A  92
PHE A 159
VAL A 177
MET A 179
VAL A 205
 ADE  A 301 (-3.5A)
ADE  A 301 (-4.0A)
ADE  A 301 (-4.4A)
ADE  A 301 ( 4.3A)
ADE  A 301 (-4.3A)
 0.84A 1pwyE-4daoA:
19.8		 1pwyE-4daoA:
20.83
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.
4glf RSFP

(uncultured
bacterium) 		PF01048
(PNP_UDP_1) 		5 GLY A 100
PHE A 179
GLY A 197
MET A 198
THR A 221
 None
 0.39A 1pwyE-4glfA:
23.0		 1pwyE-4glfA:
28.21
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.
4h6q PROLINE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF01619
(Pro_dh) 		5 GLY A 114
GLY A 105
THR A 116
ASN A 117
VAL A 102
 None
 1.34A 1pwyE-4h6qA:
undetectable		 1pwyE-4h6qA:
22.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lna PURINE NUCLEOSIDE
PHOSPHORYLASE

(Spirosoma
linguale) 		PF01048
(PNP_UDP_1) 		6 GLY A 113
GLU A 192
VAL A 208
GLY A 209
MET A 210
THR A 233
 ADE  A 502 (-3.6A)
ADE  A 502 (-2.9A)
ADE  A 502 (-4.5A)
ADE  A 502 (-3.5A)
MPD  A 503 ( 3.2A)
ADE  A 502 (-4.3A)
 0.35A 1pwyE-4lnaA:
37.5		 1pwyE-4lnaA:
46.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lna PURINE NUCLEOSIDE
PHOSPHORYLASE

(Spirosoma
linguale) 		PF01048
(PNP_UDP_1) 		5 GLY A 209
GLU A 192
VAL A 186
GLY A 188
VAL A 208
 ADE  A 502 (-3.5A)
ADE  A 502 (-2.9A)
None
None
ADE  A 502 (-4.5A)
 1.16A 1pwyE-4lnaA:
37.5		 1pwyE-4lnaA:
46.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE

(Planctopirus
limnophila) 		PF01048
(PNP_UDP_1) 		6 GLY A 116
GLU A 194
VAL A 210
GLY A 211
MET A 212
THR A 235
 ADE  A 401 (-3.7A)
ADE  A 401 (-2.7A)
ADE  A 401 (-4.4A)
ADE  A 401 (-3.4A)
ADE  A 401 (-4.2A)
ADE  A 401 (-4.3A)
 0.33A 1pwyE-4m1eA:
39.2		 1pwyE-4m1eA:
45.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0g PROTEIN PHOSPHATASE
2C 37

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 GLY A 221
VAL A 220
GLY A 145
THR A 223
VAL A 149
 None
 1.30A 1pwyE-4n0gA:
undetectable		 1pwyE-4n0gA:
20.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ns1 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Porphyromonas
gingivalis) 		PF01048
(PNP_UDP_1) 		6 GLY A 131
GLU A 208
GLY A 225
MET A 226
THR A 249
ASN A 250
 DA  A 301 (-3.4A)
DA  A 301 (-2.7A)
DA  A 301 (-3.5A)
DA  A 301 (-4.0A)
DA  A 301 (-4.1A)
DA  A 301 (-3.0A)
 0.52A 1pwyE-4ns1A:
38.1		 1pwyE-4ns1A:
45.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nwz FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Caldalkalibacillus
thermarum) 		PF07992
(Pyr_redox_2) 		5 GLY A 323
PHE A 342
VAL A 297
GLY A 298
VAL A 326
 None
None
None
FAD  A 601 (-3.0A)
None
 1.16A 1pwyE-4nwzA:
undetectable		 1pwyE-4nwzA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oln ANCSR1

(synthetic
construct) 		PF00105
(zf-C4) 		5 GLY A  71
PHE A  31
VAL A  21
GLY A  20
VAL A  70
 None
 1.22A 1pwyE-4olnA:
undetectable		 1pwyE-4olnA:
14.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4paf TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		5 GLY A 239
PHE A 144
VAL A 142
GLY A 141
VAL A 265
 None
 1.26A 1pwyE-4pafA:
undetectable		 1pwyE-4pafA:
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.
4pmu ENDO-1,4-BETA-XYLANA
SE A

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		5 GLY A 227
VAL A 228
GLY A 229
MET A 230
VAL A 256
 None
 1.04A 1pwyE-4pmuA:
undetectable		 1pwyE-4pmuA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis) 		PF13458
(Peripla_BP_6) 		5 GLY A 125
PHE A 114
VAL A 123
GLY A  58
VAL A 147
 None
 1.24A 1pwyE-4rdcA:
3.7		 1pwyE-4rdcA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 5 GLY A 368
VAL A 371
GLY A 370
VAL A 365
HIS A 421
 None
 1.24A 1pwyE-4ru5A:
undetectable		 1pwyE-4ru5A:
19.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uc0 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Agrobacterium
vitis) 		PF01048
(PNP_UDP_1) 		6 GLY A 110
GLU A 185
VAL A 201
GLY A 202
THR A 226
ASN A 227
 HPA  A 301 (-3.5A)
HPA  A 301 (-2.9A)
HPA  A 301 (-4.9A)
HPA  A 301 (-3.6A)
HPA  A 301 (-4.2A)
HPA  A 301 (-3.0A)
 0.62A 1pwyE-4uc0A:
32.6		 1pwyE-4uc0A:
40.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uc0 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Agrobacterium
vitis) 		PF01048
(PNP_UDP_1) 		7 GLY A 110
PHE A 184
GLU A 185
GLY A 202
MET A 203
THR A 226
ASN A 227
 HPA  A 301 (-3.5A)
None
HPA  A 301 (-2.9A)
HPA  A 301 (-3.6A)
HPA  A 301 (-4.4A)
HPA  A 301 (-4.2A)
HPA  A 301 (-3.0A)
 0.60A 1pwyE-4uc0A:
32.6		 1pwyE-4uc0A:
40.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uc0 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Agrobacterium
vitis) 		PF01048
(PNP_UDP_1) 		5 GLY A 202
PHE A 184
GLU A 185
GLY A 181
VAL A 201
 HPA  A 301 (-3.6A)
None
HPA  A 301 (-2.9A)
None
HPA  A 301 (-4.9A)
 1.25A 1pwyE-4uc0A:
32.6		 1pwyE-4uc0A:
40.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 GLY A 212
VAL A 213
GLY A 214
THR A 354
HIS A 364
 CA  A 601 (-4.4A)
None
None
None
PO4  A 605 (-3.7A)
 1.31A 1pwyE-4z2aA:
undetectable		 1pwyE-4z2aA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b4w PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		5 GLY A 169
PHE A 230
VAL A 153
GLY A 154
THR A 185
 None
 1.11A 1pwyE-5b4wA:
undetectable		 1pwyE-5b4wA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A 120
GLY A  93
THR A 261
ASN A 122
VAL A 124
 None
 1.29A 1pwyE-5e9qA:
undetectable		 1pwyE-5e9qA:
23.02
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.
5f7o METHYLTHIOADENOSINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 GLY A  90
PHE A 187
VAL A 204
MET A 206
THR A 229
 ADE  A 301 (-3.5A)
ADE  A 301 (-4.8A)
ADE  A 301 (-4.1A)
ADE  A 301 (-4.3A)
ADE  A 301 (-4.3A)
 0.36A 1pwyE-5f7oA:
22.7		 1pwyE-5f7oA:
26.71
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.
5i32 AQUAPORIN TIP2-1

(Arabidopsis
thaliana) 		PF00230
(MIP) 		5 GLY A 220
VAL A 143
GLY A 142
VAL A 219
HIS A 131
 None
 1.13A 1pwyE-5i32A:
undetectable		 1pwyE-5i32A:
19.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ifk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Kluyveromyces
lactis) 		PF01048
(PNP_UDP_1) 		9 GLY A 131
PHE A 213
GLU A 214
VAL A 230
GLY A 231
MET A 232
THR A 255
ASN A 256
HIS A 281
 HPA  A 401 (-3.5A)
HPA  A 401 (-4.9A)
HPA  A 401 (-2.7A)
HPA  A 401 (-4.5A)
HPA  A 401 (-3.5A)
HPA  A 401 ( 4.3A)
HPA  A 401 (-4.0A)
HPA  A 401 (-2.9A)
None
 0.73A 1pwyE-5ifkA:
37.1		 1pwyE-5ifkA:
44.13
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.
5jc8 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A 234
GLY A 232
MET A 231
THR A 237
ASN A  26
 None
 1.07A 1pwyE-5jc8A:
3.0		 1pwyE-5jc8A:
22.49
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.
5k5f HELICASE-LIKE
TRANSCRIPTION FACTOR

(Homo sapiens) 		PF08797
(HIRAN) 		5 VAL A  83
GLY A 132
MET A 148
ASN A 139
HIS A  66
 None
 1.16A 1pwyE-5k5fA:
undetectable		 1pwyE-5k5fA:
18.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 GLU A 203
VAL A 219
GLY A 220
MET A 221
HIS A 259
 CYT  A 301 (-2.9A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
None
 0.90A 1pwyE-5ko5A:
39.6		 1pwyE-5ko5A:
46.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 GLY A 120
VAL A 219
GLY A 220
MET A 221
ASN A 245
 CYT  A 301 (-3.3A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
CYT  A 301 (-3.2A)
 0.54A 1pwyE-5ko5A:
39.6		 1pwyE-5ko5A:
46.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ko5 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 GLY A 120
VAL A 219
GLY A 220
MET A 221
HIS A 259
 CYT  A 301 (-3.3A)
None
CYT  A 301 (-3.3A)
CYT  A 301 (-4.1A)
None
 0.59A 1pwyE-5ko5A:
39.6		 1pwyE-5ko5A:
46.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l3q SIGNAL RECOGNITION
PARTICLE RECEPTOR
SUBUNIT ALPHA

(Homo sapiens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY B 430
GLU B 552
VAL B 429
GLY B 428
THR B 433
 GNP  B 705 (-3.1A)
None
GNP  B 705 (-4.1A)
GNP  B 705 (-3.4A)
GNP  B 705 (-3.6A)
 1.24A 1pwyE-5l3qB:
undetectable		 1pwyE-5l3qB:
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.
5lbk COPPER-TRANSPORTING
ATPASE PAA2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 VAL A 628
GLY A 629
THR A 611
VAL A 580
HIS A 586
 None
 1.05A 1pwyE-5lbkA:
undetectable		 1pwyE-5lbkA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 366
PHE A 411
GLY A 362
THR A 369
VAL A 414
 None
 1.25A 1pwyE-5oasA:
undetectable		 1pwyE-5oasA:
17.33
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.
5u22 N2152

(Neocallimastix
frontalis) 		PF01229
(Glyco_hydro_39) 		5 GLY A 298
PHE A 290
GLY A 264
THR A 287
HIS A 260
 None
EDO  A 502 (-4.3A)
None
BTB  A 501 (-4.1A)
EDO  A 502 (-3.8A)
 1.24A 1pwyE-5u22A:
undetectable		 1pwyE-5u22A:
18.46
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.
5uan RETINOIC ACID
RECEPTOR BETA

(Homo sapiens) 		no annotation 5 GLY B 145
PHE B 105
VAL B  95
GLY B  94
VAL B 144
 None
 1.22A 1pwyE-5uanB:
undetectable		 1pwyE-5uanB:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		10 GLY A 118
PHE A 200
GLU A 201
VAL A 217
GLY A 218
MET A 219
THR A 242
ASN A 243
VAL A 245
HIS A 257
 IM5  A 308 (-3.7A)
IM5  A 308 (-4.6A)
IM5  A 308 (-2.9A)
IM5  A 308 (-4.4A)
IM5  A 308 (-3.4A)
IM5  A 308 (-3.5A)
IM5  A 308 (-4.3A)
IM5  A 308 (-3.1A)
IM5  A 308 ( 4.5A)
IM5  A 308 (-3.6A)
 0.62A 1pwyE-5ugfA:
44.1		 1pwyE-5ugfA:
99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 GLY A 218
PHE A 200
GLU A 201
GLY A 197
HIS A 257
 IM5  A 308 (-3.4A)
IM5  A 308 (-4.6A)
IM5  A 308 (-2.9A)
None
IM5  A 308 (-3.6A)
 1.15A 1pwyE-5ugfA:
44.1		 1pwyE-5ugfA:
99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 GLY A 218
PHE A 200
GLY A 197
VAL A 217
HIS A 257
 IM5  A 308 (-3.4A)
IM5  A 308 (-4.6A)
None
IM5  A 308 (-4.4A)
IM5  A 308 (-3.6A)
 1.22A 1pwyE-5ugfA:
44.1		 1pwyE-5ugfA:
99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 PHE A 200
GLU A 201
VAL A 245
GLY A 118
HIS A 257
 IM5  A 308 (-4.6A)
IM5  A 308 (-2.9A)
IM5  A 308 ( 4.5A)
IM5  A 308 (-3.7A)
IM5  A 308 (-3.6A)
 1.22A 1pwyE-5ugfA:
44.1		 1pwyE-5ugfA:
99.65
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.
5ui3 DIHYDRODIPICOLINATE
SYNTHASE

(Chlamydomonas
reinhardtii) 		no annotation 5 GLY D 115
VAL D 118
GLY D 119
THR D 112
VAL D  80
 None
 1.12A 1pwyE-5ui3D:
undetectable		 1pwyE-5ui3D:
13.99
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.
5uyt ICE-BINDING PROTEIN

(Flavobacteriaceae
bacterium
3519-10) 		no annotation 5 GLY A 406
VAL A 388
GLY A 390
THR A 426
VAL A 404
 None
 1.32A 1pwyE-5uytA:
undetectable		 1pwyE-5uytA:
20.60
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.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 GLY A 598
PHE A 571
VAL A 601
GLY A 602
VAL A 543
 None
 0.89A 1pwyE-5weoA:
3.0		 1pwyE-5weoA:
15.74
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.
5xsz LYSOPHOSPHATIDIC
ACID RECEPTOR
6A,ENDOLYSIN,LYSOPHO
SPHATIDIC ACID
RECEPTOR 6A

(Danio rerio;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 GLY A  41
VAL A  37
THR A  44
ASN A  45
VAL A  77
 None
 0.99A 1pwyE-5xszA:
undetectable		 1pwyE-5xszA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d47 BETA SLIDING CLAMP

(Mycobacterium
marinum) 		no annotation 5 GLY A  58
VAL A  45
GLY A  44
ASN A  32
VAL A  29
 None
 1.11A 1pwyE-6d47A:
undetectable		 1pwyE-6d47A:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fhe -

(-) 		no annotation 5 GLY A 226
VAL A 227
GLY A 228
MET A 229
VAL A 255
 None
 1.03A 1pwyE-6fheA:
undetectable		 1pwyE-6fheA:
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.
6fhe -

(-) 		no annotation 5 VAL A 227
GLY A 228
MET A 229
THR A 297
VAL A 255
 None
 1.21A 1pwyE-6fheA:
undetectable		 1pwyE-6fheA:
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.
6gy5 -

(-) 		no annotation 5 GLY A 407
VAL A 418
GLY A 419
VAL A 455
HIS A 499
 None
None
None
None
NA  A 718 ( 4.9A)
 0.95A 1pwyE-6gy5A:
undetectable		 1pwyE-6gy5A:
undetectable