SIMILAR PATTERNS OF AMINO ACIDS FOR 5I3C_A_AC2A301

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
 1.13A 5i3cA-1dabA:
undetectable		 5i3cA-1dabA:
18.82
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 ARG A  86
GLY A  91
VAL A 179
MET A 181
GLU A 182
 SO4  A 250 ( 3.1A)
FMB  A 270 (-3.3A)
FMB  A 270 (-4.6A)
FMB  A 270 (-3.8A)
FMB  A 270 (-2.8A)
 0.65A 5i3cA-1jdzA:
33.7		 5i3cA-1jdzA:
32.64
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.
1jye LACTOSE OPERON
REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 SER A 120
GLY A  65
ALA A  87
VAL A  94
ILE A 123
 None
 1.43A 5i3cA-1jyeA:
undetectable		 5i3cA-1jyeA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1knx PROBABLE HPR(SER)
KINASE/PHOSPHATASE

(Mycoplasma
pneumoniae) 		PF02603
(Hpr_kinase_N)
PF07475
(Hpr_kinase_C) 		5 GLY A 140
ALA A 164
VAL A 141
GLU A 162
ILE A 180
 None
 1.42A 5i3cA-1knxA:
undetectable		 5i3cA-1knxA:
23.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		6 MET A  65
ARG A  87
GLY A  92
MET A 180
GLU A 181
ILE A 206
 ADN  A1237 (-4.1A)
SO4  A1236 ( 2.8A)
ADN  A1237 (-3.4A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
ADN  A1237 (-4.4A)
 0.46A 5i3cA-1odiA:
36.0		 5i3cA-1odiA:
35.17
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) 		6 ARG A  87
GLY A 177
ALA A 156
VAL A 178
MET A 180
GLU A 181
 PO4  A 309 ( 2.8A)
None
2FA  A 306 ( 4.2A)
2FA  A 306 (-4.8A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
 1.29A 5i3cA-1pk9A:
42.8		 5i3cA-1pk9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		9 MET A  64
ARG A  87
SER A  90
GLY A  92
ALA A 156
VAL A 178
MET A 180
GLU A 181
ILE A 206
 2FA  A 306 (-3.6A)
PO4  A 309 ( 2.8A)
PO4  A 309 ( 2.7A)
2FA  A 306 (-3.5A)
2FA  A 306 ( 4.2A)
2FA  A 306 (-4.8A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
None
 0.22A 5i3cA-1pk9A:
42.8		 5i3cA-1pk9A:
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.
1si8 CATALASE

(Enterococcus
faecalis) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 GLY A 467
ALA A 440
VAL A 470
GLU A 433
ILE A 456
 None
 1.32A 5i3cA-1si8A:
undetectable		 5i3cA-1si8A:
20.08
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.
1tlf LAC REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 SER A 120
GLY A  65
ALA A  87
VAL A  94
ILE A 123
 None
 1.45A 5i3cA-1tlfA:
3.4		 5i3cA-1tlfA:
22.11
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.
1twd COPPER HOMEOSTASIS
PROTEIN CUTC

(Shigella
flexneri) 		PF03932
(CutC) 		5 SER A 198
GLY A 178
ALA A 175
VAL A 179
GLU A   5
 None
 1.46A 5i3cA-1twdA:
undetectable		 5i3cA-1twdA:
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		5 SER A  92
GLY A 126
ALA A 236
VAL A 164
ILE A 162
 None
 1.32A 5i3cA-1vrgA:
3.5		 5i3cA-1vrgA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wly 2-HALOACRYLATE
REDUCTASE

(Burkholderia
sp. WS) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 326
GLY A  39
ALA A 314
VAL A  40
ILE A  38
 SER  A 326 ( 0.0A)
GLY  A  39 ( 0.0A)
ALA  A 314 ( 0.0A)
VAL  A  40 ( 0.6A)
ILE  A  38 ( 0.6A)
 1.35A 5i3cA-1wlyA:
undetectable		 5i3cA-1wlyA:
21.08
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.
1yfo RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
ALPHA

(Mus musculus) 		PF00102
(Y_phosphatase) 		5 GLY A 441
ALA A 448
VAL A 444
MET A 449
ILE A 292
 None
 1.42A 5i3cA-1yfoA:
undetectable		 5i3cA-1yfoA:
22.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z34 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Trichomonas
vaginalis) 		PF01048
(PNP_UDP_1) 		7 MET A  64
ARG A  87
GLY A  92
VAL A 178
MET A 180
GLU A 181
ILE A 206
 2FD  A 300 (-3.8A)
2FD  A 300 ( 4.5A)
2FD  A 300 (-3.1A)
2FD  A 300 (-4.7A)
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
None
 0.47A 5i3cA-1z34A:
39.2		 5i3cA-1z34A:
58.72
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A 359
GLY A 406
VAL A 356
GLU A 214
ILE A 425
 None
 1.33A 5i3cA-1zk7A:
undetectable		 5i3cA-1zk7A:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
VAL A 171
MET A 173
GLU A 174
 MTM  A 301 (-3.1A)
MTM  A 301 (-3.6A)
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
 0.33A 5i3cA-1zosA:
22.9		 5i3cA-1zosA:
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.
2bsx PURINE NUCLEOSIDE
PHOSPHORYLASE

(Plasmodium
falciparum) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
SER A  91
GLY A  93
VAL A 181
MET A 183
GLU A 184
 NOS  A1248 ( 4.5A)
NOS  A1248 (-2.9A)
NOS  A1248 (-4.0A)
NOS  A1248 ( 4.4A)
NOS  A1248 (-3.4A)
NOS  A1248 (-3.1A)
 0.54A 5i3cA-2bsxA:
32.4		 5i3cA-2bsxA:
28.02
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.
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 SER C 357
GLY C 372
ALA C 295
VAL C 387
ILE C 306
 None
 1.13A 5i3cA-2d3tC:
undetectable		 5i3cA-2d3tC:
21.05
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.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 458
ALA A 255
VAL A 462
GLU A 258
ILE A 451
 None
 1.50A 5i3cA-2d4wA:
undetectable		 5i3cA-2d4wA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dr1 386AA LONG
HYPOTHETICAL SERINE
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00266
(Aminotran_5) 		5 MET A 368
GLY A 326
ALA A 332
MET A 333
ILE A 324
 None
 1.32A 5i3cA-2dr1A:
undetectable		 5i3cA-2dr1A:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fvv DIPHOSPHOINOSITOL
POLYPHOSPHATE
PHOSPHOHYDROLASE 1

(Homo sapiens) 		PF00293
(NUDIX) 		5 ARG A 115
SER A  39
ALA A  22
VAL A  48
GLU A  70
 IHP  A2360 ( 4.5A)
IHP  A2360 (-3.2A)
None
None
None
 1.16A 5i3cA-2fvvA:
undetectable		 5i3cA-2fvvA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ha9 UPF0210 PROTEIN
SP0239

(Streptococcus
pneumoniae) 		PF05167
(DUF711) 		5 MET A 288
GLY A 215
ALA A 222
VAL A 218
ILE A 245
 None
 0.79A 5i3cA-2ha9A:
undetectable		 5i3cA-2ha9A:
21.81
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.
2j04 YDR362CP

(Saccharomyces
cerevisiae) 		no annotation 5 SER B 562
GLY B 560
ALA B 582
VAL B 568
ILE B 559
 None
 1.43A 5i3cA-2j04B:
undetectable		 5i3cA-2j04B:
20.31
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.
2o6x SECRETED CATHEPSIN L
1

(Fasciola
hepatica) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 MET A 312
GLY A 225
ALA A 230
VAL A 224
ILE A 103
 None
 1.50A 5i3cA-2o6xA:
undetectable		 5i3cA-2o6xA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oh1 ACETYLTRANSFERASE,
GNAT FAMILY

(Listeria
monocytogenes) 		no annotation 5 ARG A  16
ALA A  79
VAL A  66
GLU A  70
ILE A  57
 None
 1.23A 5i3cA-2oh1A:
undetectable		 5i3cA-2oh1A:
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.
2paf LACTOSE OPERON
REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 SER A 120
GLY A  65
ALA A  87
VAL A  94
ILE A 123
 None
 1.45A 5i3cA-2pafA:
undetectable		 5i3cA-2pafA:
22.46
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.
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 SER A 169
GLY A 166
ALA A 132
VAL A 164
ILE A 191
 S3P  A 701 (-2.6A)
None
None
None
None
 1.49A 5i3cA-2qfqA:
undetectable		 5i3cA-2qfqA:
19.95
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.
2zyz PUTATIVE
UNCHARACTERIZED
PROTEIN PAE0789

(Pyrobaculum
aerophilum) 		no annotation 5 SER A  63
GLY A  59
VAL A  66
GLU A  34
ILE A  56
 None
 1.21A 5i3cA-2zyzA:
undetectable		 5i3cA-2zyzA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b46 AMINOTRANSFERASE
BNA3

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		5 SER A 305
GLY A  93
ALA A 295
GLU A 126
ILE A  98
 None
 1.49A 5i3cA-3b46A:
undetectable		 5i3cA-3b46A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b8a HEXOKINASE-1

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 SER X 219
GLY X 214
ALA X 265
VAL X 213
ILE X 209
 None
 1.46A 5i3cA-3b8aX:
undetectable		 5i3cA-3b8aX:
20.08
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.
3beo UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Bacillus
anthracis) 		PF02350
(Epimerase_2) 		5 SER A 295
GLY A 297
ALA A 276
VAL A 298
GLU A 292
 None
None
None
None
UDP  A1081 (-2.7A)
 1.50A 5i3cA-3beoA:
undetectable		 5i3cA-3beoA:
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.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		6 MET A  87
ARG A 137
GLY A 142
ALA A 239
MET A 285
GLU A 286
 R1P  A 401 ( 3.9A)
R1P  A 401 (-3.0A)
URA  A 501 (-3.4A)
None
R1P  A 401 ( 3.9A)
R1P  A 401 (-2.6A)
 0.30A 5i3cA-3bjeA:
28.9		 5i3cA-3bjeA:
26.05
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.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		5 SER A  75
GLY A  77
VAL A 170
MET A 172
GLU A 173
 FMC  A 229 (-3.0A)
FMC  A 229 (-3.6A)
FMC  A 229 ( 4.7A)
FMC  A 229 (-3.5A)
FMC  A 229 (-2.5A)
 0.29A 5i3cA-3bl6A:
24.7		 5i3cA-3bl6A:
25.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5i3cA-3c0kA:
undetectable		 5i3cA-3c0kA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
VAL A 172
MET A 174
GLU A 175
 BIG  A 301 (-3.3A)
BIG  A 301 (-3.7A)
BIG  A 301 (-4.9A)
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
 0.31A 5i3cA-3dp9A:
24.2		 5i3cA-3dp9A:
23.89
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		5 SER A  79
GLY A  81
VAL A 175
MET A 177
GLU A 178
 MTM  A 234 (-3.1A)
MTM  A 234 (-3.9A)
MTM  A 234 ( 4.9A)
MTM  A 234 (-3.8A)
MTM  A 234 (-2.6A)
 0.32A 5i3cA-3eeiA:
24.3		 5i3cA-3eeiA:
26.17
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		6 ARG A  89
SER A  92
GLY A  94
VAL A 182
MET A 184
GLU A 185
 SO4  A 254 (-3.2A)
SO4  A 254 (-3.2A)
None
None
None
None
 0.31A 5i3cA-3emvA:
32.9		 5i3cA-3emvA:
29.30
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.
3euf URIDINE
PHOSPHORYLASE 1

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 MET A 110
ARG A 138
GLY A 143
MET A 249
GLU A 250
 BAU  A 400 (-3.5A)
PO4  A 401 (-3.0A)
BAU  A 400 (-3.3A)
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
 0.40A 5i3cA-3eufA:
24.8		 5i3cA-3eufA:
26.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gzt OUTER CAPSID
GLYCOPROTEIN VP7

(Rotavirus A) 		PF00434
(VP7) 		5 SER B 186
GLY B 188
ALA B 125
VAL B 129
GLU B 154
 None
 1.41A 5i3cA-3gztB:
undetectable		 5i3cA-3gztB:
22.76
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.
3h5k RIBOSOME-INACTIVATIN
G PROTEIN
PD-L1/PD-L2

(Phytolacca
dioica) 		PF00161
(RIP) 		5 GLY A 140
ALA A 176
VAL A 186
GLU A 204
ILE A 141
 None
 1.20A 5i3cA-3h5kA:
undetectable		 5i3cA-3h5kA:
23.57
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.
3k6j PROTEIN F01G10.3,
CONFIRMED BY
TRANSCRIPT EVIDENCE

(Caenorhabditis
elegans) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ARG A  28
GLY A 171
ALA A 196
VAL A 170
ILE A 172
 None
 1.41A 5i3cA-3k6jA:
undetectable		 5i3cA-3k6jA:
19.70
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 GLY E  60
ALA E  23
VAL E  20
GLU E  47
ILE E   6
 None
 1.34A 5i3cA-3kfuE:
undetectable		 5i3cA-3kfuE:
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.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		5 MET A 109
ARG A 137
GLY A 142
MET A 248
GLU A 249
 R2B  A 313 (-3.9A)
SO4  A 311 ( 3.0A)
URA  A 312 (-3.3A)
URA  A 312 ( 3.7A)
R2B  A 313 (-2.6A)
 0.34A 5i3cA-3kvyA:
25.1		 5i3cA-3kvyA:
26.03
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.
3mcf DIPHOSPHOINOSITOL
POLYPHOSPHATE
PHOSPHOHYDROLASE
3-ALPHA

(Homo sapiens) 		PF00293
(NUDIX) 		5 ARG A 115
SER A  38
ALA A  21
VAL A  47
GLU A  69
 FLC  A   0 (-3.1A)
FLC  A   0 (-3.2A)
None
None
FLC  A   0 ( 4.7A)
 1.20A 5i3cA-3mcfA:
undetectable		 5i3cA-3mcfA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 SER A 380
GLY A 165
ALA A 189
VAL A 191
ILE A 194
 None
None
None
None
KCX  A 195 ( 3.8A)
 1.22A 5i3cA-3nwrA:
undetectable		 5i3cA-3nwrA:
19.95
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.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
VAL A 171
MET A 173
GLU A 174
 4CT  A 233 (-3.2A)
4CT  A 233 (-3.8A)
4CT  A 233 ( 4.9A)
4CT  A 233 (-3.6A)
4CT  A 233 (-3.0A)
 0.35A 5i3cA-3o4vA:
24.3		 5i3cA-3o4vA:
24.14
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
ALA A 170
VAL A 192
MET A 194
GLU A 195
 PO4  A 501 (-2.8A)
None
DIH  A 500 ( 4.8A)
DIH  A 500 (-4.8A)
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
 1.29A 5i3cA-3of3A:
41.3		 5i3cA-3of3A:
80.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		9 MET A  78
ARG A 101
SER A 104
GLY A 106
ALA A 170
VAL A 192
MET A 194
GLU A 195
ILE A 220
 DIH  A 500 (-3.6A)
PO4  A 501 (-2.8A)
PO4  A 501 ( 2.7A)
DIH  A 500 (-4.0A)
DIH  A 500 ( 4.8A)
DIH  A 500 (-4.8A)
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
None
 0.32A 5i3cA-3of3A:
41.3		 5i3cA-3of3A:
80.17
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.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 MET A 116
ARG A 144
GLY A 149
MET A 255
GLU A 256
 BAU  A 400 (-3.4A)
None
BAU  A 400 (-3.5A)
BAU  A 400 (-3.9A)
None
 0.40A 5i3cA-3p0fA:
24.7		 5i3cA-3p0fA:
24.68
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.
3ram HMRA PROTEIN

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 SER A 102
GLY A  78
ALA A  66
VAL A 121
ILE A 149
 None
 1.38A 5i3cA-3ramA:
4.2		 5i3cA-3ramA:
20.10
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.
3sim PROTEIN, FAMILY 18
CHITINASE

(Crocus vernus) 		PF00704
(Glyco_hydro_18) 		5 SER A 158
GLY A 121
ALA A  36
VAL A  80
ILE A 114
 None
 1.49A 5i3cA-3simA:
undetectable		 5i3cA-3simA:
19.37
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 MET A  20
GLY A 301
ALA A 331
GLU A  19
ILE A 304
 None
FAD  A 500 (-3.4A)
None
None
None
 1.26A 5i3cA-3t2yA:
undetectable		 5i3cA-3t2yA:
22.89
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
SER A  95
GLY A  97
ALA A 161
VAL A 182
MET A 184
GLU A 185
 None
SO4  A 239 (-3.2A)
SO4  A 239 (-3.4A)
None
None
None
None
SO4  A 239 ( 4.4A)
 0.49A 5i3cA-3tl6A:
35.7		 5i3cA-3tl6A:
48.35
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 MET A  64
ARG A  87
GLY A  92
ALA A 156
VAL A 178
MET A 180
GLU A 181
ILE A 206
 None
SO4  A 236 (-2.7A)
None
None
None
None
SO4  A 236 ( 4.4A)
None
 0.46A 5i3cA-3uavA:
38.0		 5i3cA-3uavA:
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.
3vov GLUCOKINASE

(Thermus
thermophilus) 		PF00480
(ROK) 		5 ARG A 148
GLY A 144
ALA A 112
VAL A 141
GLU A 105
 None
 1.27A 5i3cA-3vovA:
2.1		 5i3cA-3vovA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 GLY A 640
ALA A 646
VAL A 642
MET A 647
ILE A 639
 None
 1.41A 5i3cA-4av6A:
undetectable		 5i3cA-4av6A:
17.66
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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 SER A 256
ALA A 381
VAL A 258
GLU A 334
ILE A 396
 None
 1.41A 5i3cA-4c23A:
undetectable		 5i3cA-4c23A:
19.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		8 MET A  64
ARG A  87
SER A  90
GLY A  92
ALA A 156
VAL A 177
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
None
ADE  A 301 (-4.4A)
ADE  A 301 ( 4.3A)
None
 0.49A 5i3cA-4daoA:
37.1		 5i3cA-4daoA:
53.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g1u HEMIN TRANSPORT
SYSTEM PERMEASE
PROTEIN HMUU

(Yersinia pestis) 		PF01032
(FecCD) 		5 GLY A 184
ALA A 298
VAL A 309
MET A 307
ILE A 257
 None
 1.44A 5i3cA-4g1uA:
undetectable		 5i3cA-4g1uA:
19.62
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.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 SER B 131
GLY B 225
ALA B 206
VAL B 224
ILE B 183
 None
 1.19A 5i3cA-4hdsB:
undetectable		 5i3cA-4hdsB:
21.02
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.
4ijn ACETATE KINASE

(Mycolicibacterium
smegmatis) 		PF00871
(Acetate_kinase) 		5 ARG A 288
SER A 223
GLY A 220
ALA A 281
VAL A 255
 None
 1.47A 5i3cA-4ijnA:
undetectable		 5i3cA-4ijnA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k9s GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00657
(Lipase_GDSL) 		5 MET A 354
GLY A 304
ALA A 347
MET A 348
ILE A 303
 None
 1.19A 5i3cA-4k9sA:
2.2		 5i3cA-4k9sA:
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.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		6 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
None
 1.48A 5i3cA-4l0mA:
23.2		 5i3cA-4l0mA:
24.91
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) 		5 ARG A  88
GLY A 178
VAL A 179
GLU A 182
ILE A  95
 PO4  A 301 (-2.9A)
None
None
PO4  A 301 ( 4.7A)
None
 1.41A 5i3cA-4ldnA:
38.1		 5i3cA-4ldnA:
52.87
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) 		5 ARG A  88
GLY A 178
VAL A 179
MET A 181
GLU A 182
 PO4  A 301 (-2.9A)
None
None
None
PO4  A 301 ( 4.7A)
 1.37A 5i3cA-4ldnA:
38.1		 5i3cA-4ldnA:
52.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		8 MET A  65
ARG A  88
SER A  91
GLY A  93
VAL A 179
MET A 181
GLU A 182
ILE A 207
 None
PO4  A 301 (-2.9A)
PO4  A 301 (-3.0A)
None
None
None
PO4  A 301 ( 4.7A)
None
 0.37A 5i3cA-4ldnA:
38.1		 5i3cA-4ldnA:
52.87
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
SER A  90
GLY A  92
MET A 180
GLU A 181
 None
 0.52A 5i3cA-4lkrA:
38.2		 5i3cA-4lkrA:
50.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		5 MET A  64
GLY A  92
VAL A 178
MET A 180
GLU A 181
 None
 0.26A 5i3cA-4m3nA:
37.8		 5i3cA-4m3nA:
52.16
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  65
ARG A  88
GLY A  93
VAL A 179
MET A 181
GLU A 182
 None
PO4  A 400 (-3.0A)
None
None
None
PO4  A 400 ( 4.4A)
 0.46A 5i3cA-4m7wA:
39.4		 5i3cA-4m7wA:
51.16
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.
4mca GLYCEROL
DEHYDROGENASE

(Serratia
plymuthica) 		PF00465
(Fe-ADH) 		5 GLY A  90
ALA A  44
VAL A  91
MET A  41
ILE A  89
 None
 1.38A 5i3cA-4mcaA:
undetectable		 5i3cA-4mcaA:
22.68
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.
4mch URIDINE
PHOSPHORYLASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
 SO4  A 500 (-2.9A)
SO4  A 500 (-2.9A)
DMS  A 515 ( 4.1A)
DMS  A 513 ( 4.3A)
SO4  A 500 ( 4.2A)
 0.57A 5i3cA-4mchA:
32.2		 5i3cA-4mchA:
25.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
 0.34A 5i3cA-4pr3A:
8.8		 5i3cA-4pr3A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 5 SER B  76
GLY B  78
VAL B 172
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.38A 5i3cA-4qezB:
23.1		 5i3cA-4qezB:
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.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		5 SER A 278
GLY A 241
ALA A 158
VAL A 200
ILE A 234
 None
 1.43A 5i3cA-4rl3A:
undetectable		 5i3cA-4rl3A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 324
GLY A  39
ALA A 312
VAL A  40
ILE A  38
 None
 1.36A 5i3cA-4rvsA:
undetectable		 5i3cA-4rvsA:
23.55
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 MET A  86
ARG A 109
GLY A 114
MET A 202
GLU A 203
 None
SO4  A 301 (-2.8A)
None
None
SO4  A 301 ( 4.4A)
 0.16A 5i3cA-4tymA:
38.3		 5i3cA-4tymA:
44.91
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.
4yt2 H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ1338

(Methanocaldococcus
jannaschii) 		PF03201
(HMD) 		5 SER A 208
GLY A 172
ALA A 200
VAL A 202
ILE A 186
 None
 1.05A 5i3cA-4yt2A:
undetectable		 5i3cA-4yt2A:
23.55
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.
4zbt ACETOACETATE
DECARBOXYLASE

(Streptomyces
bingchenggensis) 		PF06314
(ADC) 		5 ARG A  57
GLY A 245
ALA A  60
VAL A  31
ILE A 165
 None
 1.16A 5i3cA-4zbtA:
undetectable		 5i3cA-4zbtA:
21.35
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ARG A1279
ALA A1297
VAL A1251
GLU A1276
ILE A1206
 None
 1.39A 5i3cA-5a31A:
undetectable		 5i3cA-5a31A:
10.62
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
VAL A 177
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
ADE  A 302 (-4.1A)
None
 0.32A 5i3cA-5dk6A:
24.1		 5i3cA-5dk6A:
22.39
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.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		5 SER A 340
GLY A 332
ALA A 298
GLU A 364
ILE A 555
 None
 1.26A 5i3cA-5fn4A:
5.8		 5i3cA-5fn4A:
16.36
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ARG B  89
GLY B 651
VAL B 650
GLU B 647
ILE B 587
 None
 1.27A 5i3cA-5fq6B:
undetectable		 5i3cA-5fq6B:
14.43
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.
5k9x TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Legionella
pneumophila) 		PF00290
(Trp_syntA) 		5 SER A 178
GLY A 211
ALA A 227
VAL A 210
ILE A 214
 None
 1.49A 5i3cA-5k9xA:
undetectable		 5i3cA-5k9xA:
23.75
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.
5kxq GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
1

(Mus musculus) 		PF10250
(O-FucT) 		5 ARG A 237
GLY A 241
ALA A 308
VAL A 240
ILE A 356
 None
 1.43A 5i3cA-5kxqA:
undetectable		 5i3cA-5kxqA:
20.39
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ARG A1279
ALA A1297
VAL A1251
GLU A1276
ILE A1206
 None
 1.39A 5i3cA-5lcwA:
undetectable		 5i3cA-5lcwA:
8.05
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.
5tsb MEMBRANE PROTEIN

(Bordetella
bronchiseptica) 		PF02535
(Zip) 		5 SER A 261
GLY A 263
ALA A 115
VAL A 129
ILE A 108
 None
 1.27A 5i3cA-5tsbA:
undetectable		 5i3cA-5tsbA:
26.36
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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 SER A  76
GLY A  78
VAL A 172
MET A 174
GLU A 175
 TRS  A 302 (-2.8A)
9DA  A 301 (-3.5A)
None
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
 0.36A 5i3cA-5ue1A:
24.4		 5i3cA-5ue1A:
23.14
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.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		5 ARG A 132
GLY A 300
ALA A 184
VAL A 301
GLU A 165
 None
 1.35A 5i3cA-5w8oA:
undetectable		 5i3cA-5w8oA:
21.35
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.
5w8p HOMOSERINE
O-ACETYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF00561
(Abhydrolase_1) 		5 ARG A 135
GLY A 307
ALA A 187
VAL A 308
GLU A 168
 None
None
None
PO4  A 405 ( 4.5A)
None
 1.36A 5i3cA-5w8pA:
2.4		 5i3cA-5w8pA:
23.06
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.
6cfw MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA

(Pyrococcus
furiosus) 		no annotation 5 GLY L 119
ALA L 369
VAL L 118
GLU L  20
ILE L 122
 None
 1.09A 5i3cA-6cfwL:
undetectable		 5i3cA-6cfwL:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6epd 26S PROTEASOME
SUBUNIT S5A

(Rattus
norvegicus) 		no annotation 5 GLY W  89
ALA W  96
VAL W  92
GLU W 134
ILE W  52
 None
 1.07A 5i3cA-6epdW:
undetectable		 5i3cA-6epdW:
11.97
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.
6g7x -

(-) 		no annotation 5 MET A  64
ARG A  87
GLY A  92
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.49A 5i3cA-6g7xA:
38.4		 5i3cA-6g7xA:
undetectable