SIMILAR PATTERNS OF AMINO ACIDS FOR 5I3C_B_AC2B301_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		5 GLY A  91
GLU A 180
MET A 181
GLU A 182
ASP A 205
 FMB  A 270 (-3.3A)
FMB  A 270 (-4.6A)
FMB  A 270 (-3.8A)
FMB  A 270 (-2.8A)
None
 0.84A 5i3cB-1jdzA:
33.6		 5i3cB-1jdzA:
32.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		5 GLY A  91
VAL A 179
GLU A 180
MET A 181
GLU A 182
 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)
 0.65A 5i3cB-1jdzA:
33.6		 5i3cB-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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 SER A  42
GLY A 488
ALA A 502
VAL A 490
ASP A  45
 None
None
TRO  A 512 ( 3.9A)
None
None
 1.14A 5i3cB-1kb0A:
undetectable		 5i3cB-1kb0A:
16.89
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
GLY A  92
GLU A 179
MET A 180
GLU A 181
ILE A 206
 ADN  A1237 (-4.1A)
ADN  A1237 (-3.4A)
ADN  A1237 (-4.9A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
ADN  A1237 (-4.4A)
 0.35A 5i3cB-1odiA:
36.5		 5i3cB-1odiA:
35.17
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.
1oru YUAD PROTEIN

(Bacillus
subtilis) 		no annotation 5 GLY A  34
ALA A 118
VAL A 164
ASP A  38
ILE A  66
 None
 1.17A 5i3cB-1oruA:
undetectable		 5i3cB-1oruA:
24.21
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 GLY A 177
ALA A 156
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
2FA  A 306 ( 4.2A)
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
 1.39A 5i3cB-1pk9A:
43.0		 5i3cB-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
SER A  90
GLY A  92
ALA A 156
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A 206
 2FA  A 306 (-3.6A)
PO4  A 309 ( 2.7A)
2FA  A 306 (-3.5A)
2FA  A 306 ( 4.2A)
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
None
 0.37A 5i3cB-1pk9A:
43.0		 5i3cB-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.
1qso HPA2 HISTONE
ACETYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF00583
(Acetyltransf_1) 		5 GLY A  71
ALA A  58
VAL A  60
ASP A  96
ILE A  69
 None
 1.18A 5i3cB-1qsoA:
undetectable		 5i3cB-1qsoA:
20.68
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.
1rrc POLYNUCLEOTIDE
KINASE

(Escherichia
virus T4) 		PF13671
(AAA_33) 		5 GLY A 290
ALA A 275
VAL A 291
GLU A 292
ILE A 289
 None
 1.01A 5i3cB-1rrcA:
2.1		 5i3cB-1rrcA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6m ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF00583
(Acetyltransf_1) 		5 SER A 119
GLY A  70
ALA A   7
VAL A  61
ASP A 121
 None
 1.03A 5i3cB-1u6mA:
undetectable		 5i3cB-1u6mA:
21.83
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.
1ypx PUTATIVE VITAMIN-B12
INDEPENDENT
METHIONINE SYNTHASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF01717
(Meth_synt_2) 		5 GLY A  81
VAL A  82
GLU A  83
ASP A 110
ILE A 109
 None
 1.10A 5i3cB-1ypxA:
undetectable		 5i3cB-1ypxA:
22.43
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.
1yz6 PROBABLE TRANSLATION
INITIATION FACTOR 2
ALPHA SUBUNIT

(Pyrococcus
abyssi) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		5 ALA A 206
VAL A 214
GLU A 213
ASP A 179
ILE A 226
 None
 1.16A 5i3cB-1yz6A:
undetectable		 5i3cB-1yz6A:
23.59
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) 		8 MET A  64
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ASP A 204
ILE A 206
 2FD  A 300 (-3.8A)
2FD  A 300 (-3.1A)
2FD  A 300 (-4.7A)
None
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
None
None
 0.47A 5i3cB-1z34A:
39.3		 5i3cB-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.
1zej 3-HYDROXYACYL-COA
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A 213
ALA A 220
VAL A 216
ASP A 210
ILE A 212
 None
 1.21A 5i3cB-1zejA:
undetectable		 5i3cB-1zejA:
23.08
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.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
 MTM  A 301 (-3.1A)
MTM  A 301 (-3.6A)
None
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
 0.51A 5i3cB-1zosA:
23.4		 5i3cB-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.
1zu4 FTSY

(Mycoplasma
mycoides) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 GLY A 334
ALA A 366
VAL A 335
ASP A 327
ILE A 326
 None
 1.15A 5i3cB-1zu4A:
undetectable		 5i3cB-1zu4A:
24.48
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.
2bdq COPPER HOMEOSTASIS
PROTEIN CUTC

(Streptococcus
agalactiae) 		PF03932
(CutC) 		5 GLY A 185
ALA A 204
VAL A 187
GLU A   5
ILE A 161
 None
 1.13A 5i3cB-2bdqA:
undetectable		 5i3cB-2bdqA:
23.95
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.
2bsx PURINE NUCLEOSIDE
PHOSPHORYLASE

(Plasmodium
falciparum) 		PF01048
(PNP_UDP_1) 		6 SER A  91
GLY A  93
VAL A 181
GLU A 182
MET A 183
GLU A 184
 NOS  A1248 (-2.9A)
NOS  A1248 (-4.0A)
NOS  A1248 ( 4.4A)
None
NOS  A1248 (-3.4A)
NOS  A1248 (-3.1A)
 0.42A 5i3cB-2bsxA:
32.3		 5i3cB-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.
2bw3 TRANSPOSASE

(Musca domestica) 		PF05699
(Dimer_Tnp_hAT)
PF10683
(DBD_Tnp_Hermes) 		5 GLY B 128
VAL B 127
GLU B 130
ASP B 133
ILE A 125
 None
 1.01A 5i3cB-2bw3B:
undetectable		 5i3cB-2bw3B:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 5i3cB-2d3tC:
undetectable		 5i3cB-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.
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
 1.06A 5i3cB-2glfA:
7.0		 5i3cB-2glfA:
21.78
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.
2h98 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CATM

(Acinetobacter
sp. ADP1) 		PF03466
(LysR_substrate) 		5 GLY A 251
ALA A 235
VAL A 252
ASP A 249
ILE A 250
 None
 1.07A 5i3cB-2h98A:
undetectable		 5i3cB-2h98A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.80A 5i3cB-2ha9A:
undetectable		 5i3cB-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.
2iv0 ISOCITRATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00180
(Iso_dh) 		5 GLY A  39
ALA A 349
VAL A  42
ASP A  36
ILE A  38
 None
 1.17A 5i3cB-2iv0A:
undetectable		 5i3cB-2iv0A:
19.81
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.
2jk1 HYDROGENASE
TRANSCRIPTIONAL
REGULATORY PROTEIN
HUPR1

(Rhodobacter
capsulatus) 		PF00072
(Response_reg) 		5 GLY A  63
ALA A  94
VAL A  64
ASP A  55
ILE A  81
 None
None
None
MG  A1144 (-2.8A)
None
 1.11A 5i3cB-2jk1A:
2.8		 5i3cB-2jk1A:
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
NEDD8-CONJUGATING
ENZYME UBC12

(Homo sapiens) 		PF00179
(UQ_con)
PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		5 GLY B2251
VAL B2285
GLU C 117
ASP B2253
ILE B2257
 None
 1.19A 5i3cB-2nvuB:
undetectable		 5i3cB-2nvuB:
17.72
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.
2nyi UNKNOWN PROTEIN

(Galdieria
sulphuraria) 		PF13740
(ACT_6) 		5 ALA A 109
VAL A 162
GLU A 165
ASP A 169
ILE A 170
 None
 1.03A 5i3cB-2nyiA:
undetectable		 5i3cB-2nyiA:
18.57
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.
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
 1.17A 5i3cB-2ovjA:
undetectable		 5i3cB-2ovjA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6k REPLICATION PROTEIN
A 32 KDA SUBUNIT

(Homo sapiens) 		PF08784
(RPA_C) 		5 GLY A  78
VAL A 126
GLU A 154
ASP A  96
ILE A  94
 None
 1.14A 5i3cB-2z6kA:
undetectable		 5i3cB-2z6kA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		6 MET A  87
GLY A 142
ALA A 239
GLU A 284
MET A 285
GLU A 286
 R1P  A 401 ( 3.9A)
URA  A 501 (-3.4A)
None
R1P  A 401 ( 4.6A)
R1P  A 401 ( 3.9A)
R1P  A 401 (-2.6A)
 0.37A 5i3cB-3bjeA:
29.0		 5i3cB-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) 		6 SER A  75
GLY A  77
VAL A 170
GLU A 171
MET A 172
GLU A 173
 FMC  A 229 (-3.0A)
FMC  A 229 (-3.6A)
FMC  A 229 ( 4.7A)
FMC  A 229 (-4.7A)
FMC  A 229 (-3.5A)
FMC  A 229 (-2.5A)
 0.38A 5i3cB-3bl6A:
25.2		 5i3cB-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.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
 BIG  A 301 (-3.3A)
BIG  A 301 (-3.7A)
BIG  A 301 (-4.9A)
None
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
 0.39A 5i3cB-3dp9A:
24.7		 5i3cB-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.
3ec7 PUTATIVE
DEHYDROGENASE

(Salmonella
enterica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A   6
ALA A  22
VAL A  30
GLU A  29
ILE A   7
 None
 1.19A 5i3cB-3ec7A:
3.1		 5i3cB-3ec7A:
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		6 SER A  79
GLY A  81
VAL A 175
GLU A 176
MET A 177
GLU A 178
 MTM  A 234 (-3.1A)
MTM  A 234 (-3.9A)
MTM  A 234 ( 4.9A)
MTM  A 234 (-4.6A)
MTM  A 234 (-3.8A)
MTM  A 234 (-2.6A)
 0.43A 5i3cB-3eeiA:
24.8		 5i3cB-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 SER A  92
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
 0.38A 5i3cB-3emvA:
32.6		 5i3cB-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
GLY A 143
GLU A 248
MET A 249
GLU A 250
 BAU  A 400 (-3.5A)
BAU  A 400 (-3.3A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
 0.32A 5i3cB-3eufA:
25.1		 5i3cB-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.
3ezl ACETOACETYL-COA
REDUCTASE

(Burkholderia
pseudomallei) 		PF00106
(adh_short) 		5 GLY A 220
ALA A 227
VAL A 223
ASP A 217
ILE A  21
 None
 1.19A 5i3cB-3ezlA:
undetectable		 5i3cB-3ezlA:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gb0 PEPTIDASE T

(Bacillus cereus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A  94
VAL A 353
GLU A 354
ASP A  93
ILE A  91
 None
 1.03A 5i3cB-3gb0A:
4.4		 5i3cB-3gb0A:
22.81
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.
3glb HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CATM

(Acinetobacter
sp. ADP1) 		PF03466
(LysR_substrate) 		5 GLY A 251
ALA A 235
VAL A 252
ASP A 249
ILE A 250
 None
 1.17A 5i3cB-3glbA:
undetectable		 5i3cB-3glbA:
21.48
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.
3h0u PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
avermitilis) 		PF00378
(ECH_1) 		5 GLY A  36
ALA A  85
VAL A  40
ASP A  74
ILE A  35
 None
 1.22A 5i3cB-3h0uA:
undetectable		 5i3cB-3h0uA:
23.68
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.
3h0u PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
avermitilis) 		PF00378
(ECH_1) 		5 GLY A  36
ALA A  85
VAL A  40
GLU A  84
ILE A  35
 None
 1.02A 5i3cB-3h0uA:
undetectable		 5i3cB-3h0uA:
23.68
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.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 GLY A 432
ALA A 412
VAL A 383
ASP A 429
ILE A 431
 None
 1.10A 5i3cB-3hriA:
undetectable		 5i3cB-3hriA:
21.23
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.
3ijl MUCONATE
CYCLOISOMERASE

(Bacteroides
thetaiotaomicron) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 315
VAL A 322
MET A 320
ASP A 276
ILE A 297
 None
None
None
MG  A 386 (-3.1A)
None
 1.14A 5i3cB-3ijlA:
undetectable		 5i3cB-3ijlA:
20.98
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.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		5 MET A 109
GLY A 142
GLU A 247
MET A 248
GLU A 249
 R2B  A 313 (-3.9A)
URA  A 312 (-3.3A)
R2B  A 313 ( 4.4A)
URA  A 312 ( 3.7A)
R2B  A 313 (-2.6A)
 0.34A 5i3cB-3kvyA:
14.4		 5i3cB-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.
3n3u ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE IBPA

(Histophilus
somni) 		PF02661
(Fic) 		5 GLY A3706
ALA A3695
VAL A3705
GLU A3506
ILE A3734
 None
 1.05A 5i3cB-3n3uA:
undetectable		 5i3cB-3n3uA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.21A 5i3cB-3nwrA:
undetectable		 5i3cB-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) 		6 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
 4CT  A 233 (-3.2A)
4CT  A 233 (-3.8A)
4CT  A 233 ( 4.9A)
None
4CT  A 233 (-3.6A)
4CT  A 233 (-3.0A)
 0.39A 5i3cB-3o4vA:
24.8		 5i3cB-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 GLY A 191
ALA A 170
VAL A 192
GLU A 193
MET A 194
GLU A 195
 None
DIH  A 500 ( 4.8A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
 1.39A 5i3cB-3of3A:
41.7		 5i3cB-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
SER A 104
GLY A 106
ALA A 170
VAL A 192
GLU A 193
MET A 194
GLU A 195
ILE A 220
 DIH  A 500 (-3.6A)
PO4  A 501 ( 2.7A)
DIH  A 500 (-4.0A)
DIH  A 500 ( 4.8A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
None
 0.27A 5i3cB-3of3A:
41.7		 5i3cB-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.
3oiz ANTISIGMA-FACTOR
ANTAGONIST, STAS

(Rhodobacter
sphaeroides) 		PF01740
(STAS) 		5 ALA A 463
VAL A 465
GLU A 464
ASP A 436
ILE A 435
 None
 1.12A 5i3cB-3oizA:
undetectable		 5i3cB-3oizA:
16.67
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.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 MET A 116
GLY A 149
GLU A 254
MET A 255
GLU A 256
 BAU  A 400 (-3.4A)
BAU  A 400 (-3.5A)
None
BAU  A 400 (-3.9A)
None
 0.37A 5i3cB-3p0fA:
14.8		 5i3cB-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.
3pg1 MITOGEN-ACTIVATED
PROTEIN KINASE,
PUTATIVE (MAP
KINASE-LIKE PROTEIN)

(Leishmania
major) 		PF00069
(Pkinase) 		5 GLY A 145
ALA A 152
VAL A 148
GLU A 151
ILE A  90
 None
 1.06A 5i3cB-3pg1A:
undetectable		 5i3cB-3pg1A:
21.57
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.
3pig BETA-FRUCTOFURANOSID
ASE

(Bifidobacterium
longum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY A 346
ALA A 354
VAL A 352
GLU A 342
ASP A 347
 None
 1.20A 5i3cB-3pigA:
undetectable		 5i3cB-3pigA:
18.89
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.
3saj GLUTAMATE RECEPTOR 1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 GLY A 278
ALA A 285
VAL A 281
GLU A 284
ILE A  91
 None
 1.04A 5i3cB-3sajA:
undetectable		 5i3cB-3sajA:
21.24
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLY A  79
ALA A  39
GLU A  81
ASP A  77
ILE A  78
 None
 1.21A 5i3cB-3sunA:
undetectable		 5i3cB-3sunA:
13.89
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
SER A  95
GLY A  97
ALA A 161
VAL A 182
GLU A 183
MET A 184
GLU A 185
 None
SO4  A 239 (-3.4A)
None
None
None
None
None
SO4  A 239 ( 4.4A)
 0.47A 5i3cB-3tl6A:
35.4		 5i3cB-3tl6A:
48.35
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.
3u3x OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 SER A 279
GLY A 277
VAL A 170
GLU A 169
ILE A 275
 None
 1.11A 5i3cB-3u3xA:
undetectable		 5i3cB-3u3xA:
21.33
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) 		9 MET A  64
GLY A  92
ALA A 156
VAL A 178
GLU A 179
MET A 180
GLU A 181
ASP A 204
ILE A 206
 None
None
None
None
None
None
SO4  A 236 ( 4.4A)
None
None
 0.54A 5i3cB-3uavA:
37.8		 5i3cB-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.
487d PROTEIN (50S L14
RIBOSOMAL PROTEIN)

(Geobacillus
stearothermophilus) 		PF00238
(Ribosomal_L14) 		5 GLY M  36
ALA M  83
VAL M  62
ASP M 108
ILE M  35
 None
 1.23A 5i3cB-487dM:
undetectable		 5i3cB-487dM:
22.32
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
SER A  90
GLY A  92
ALA A 156
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.46A 5i3cB-4daoA:
37.2		 5i3cB-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.
4dpy MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Staphylococcus
epidermidis) 		PF00288
(GHMP_kinases_N) 		5 GLY A 322
ALA A   7
VAL A 323
GLU A 324
ILE A 146
 None
 1.20A 5i3cB-4dpyA:
undetectable		 5i3cB-4dpyA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e0f RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA

(Brucella
abortus) 		PF00677
(Lum_binding) 		5 ALA A  67
VAL A  65
GLU A  66
ASP A  13
ILE A  26
 RBF  A 301 (-4.1A)
None
None
None
None
 1.04A 5i3cB-4e0fA:
undetectable		 5i3cB-4e0fA:
23.62
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.
4fai CG5976, ISOFORM B

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		5 GLY A 231
ALA A 159
VAL A 156
ASP A 328
ILE A 327
 None
 0.99A 5i3cB-4faiA:
5.3		 5i3cB-4faiA:
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.
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)
 0.79A 5i3cB-4g41A:
24.9		 5i3cB-4g41A:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gcm THIOREDOXIN
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 GLY A 160
ALA A 181
VAL A 157
GLU A 158
ILE A 172
 None
 1.06A 5i3cB-4gcmA:
undetectable		 5i3cB-4gcmA:
25.62
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.
4hb9 SIMILARITIES WITH
PROBABLE
MONOOXYGENASE

(Photorhabdus
laumondii) 		PF01494
(FAD_binding_3) 		5 SER A  36
ALA A 237
VAL A 232
GLU A 233
GLU A 115
 None
 1.21A 5i3cB-4hb9A:
undetectable		 5i3cB-4hb9A:
21.38
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.
4jot ENOYL-COA HYDRATASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF00378
(ECH_1) 		5 GLY A 147
ALA A 171
VAL A 144
GLU A 143
GLU A 123
 None
 1.04A 5i3cB-4jotA:
2.0		 5i3cB-4jotA:
24.23
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.
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
 1.16A 5i3cB-4k9sA:
2.5		 5i3cB-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) 		5 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
 0.27A 5i3cB-4l0mA:
23.5		 5i3cB-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 GLY A  93
VAL A 179
MET A 181
ASP A 205
ILE A 207
 None
 0.95A 5i3cB-4ldnA:
38.3		 5i3cB-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
SER A  91
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
ILE A 207
 None
PO4  A 301 (-3.0A)
None
None
None
None
PO4  A 301 ( 4.7A)
None
 0.53A 5i3cB-4ldnA:
38.3		 5i3cB-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) 		5 MET A  64
GLY A  92
MET A 180
GLU A 181
ASP A 204
 None
 0.77A 5i3cB-4lkrA:
20.4		 5i3cB-4lkrA:
50.00
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) 		5 MET A  64
SER A  90
GLY A  92
MET A 180
GLU A 181
 None
 0.64A 5i3cB-4lkrA:
20.4		 5i3cB-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) 		6 MET A  64
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
 0.31A 5i3cB-4m3nA:
19.9		 5i3cB-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
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
 None
None
None
None
None
PO4  A 400 ( 4.4A)
 0.50A 5i3cB-4m7wA:
39.4		 5i3cB-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.
4nef AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		5 SER A 182
GLY A 207
ALA A 127
VAL A 131
ILE A 206
 None
 1.14A 5i3cB-4nefA:
undetectable		 5i3cB-4nefA:
21.37
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.
4oj2 AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		5 SER X 182
GLY X 207
ALA X 127
VAL X 131
ILE X 206
 None
 1.18A 5i3cB-4oj2X:
undetectable		 5i3cB-4oj2X:
21.33
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.
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
 0.32A 5i3cB-4pr3A:
9.5		 5i3cB-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 6 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.45A 5i3cB-4qezB:
23.7		 5i3cB-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.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A  92
ALA A 121
VAL A  64
GLU A  63
ILE A  33
 None
 1.23A 5i3cB-4rvsA:
undetectable		 5i3cB-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
GLY A 114
GLU A 201
MET A 202
GLU A 203
 None
None
None
None
SO4  A 301 ( 4.4A)
 0.38A 5i3cB-4tymA:
38.4		 5i3cB-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.
4wso PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Burkholderia
thailandensis) 		PF01467
(CTP_transf_like) 		5 GLY A  32
ALA A 102
VAL A  62
MET A  64
ILE A  31
 None
 0.86A 5i3cB-4wsoA:
undetectable		 5i3cB-4wsoA:
21.51
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 GLY A 627
ALA A 595
VAL A 608
ASP A 637
ILE A 636
 None
 1.19A 5i3cB-4xhbA:
undetectable		 5i3cB-4xhbA:
16.03
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 252
ALA A 235
VAL A 253
GLU A 254
ILE A   9
 None
FAD  A 601 (-3.5A)
None
None
None
 1.22A 5i3cB-4ynuA:
undetectable		 5i3cB-4ynuA:
18.01
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.
4zpj EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Sphaerobacter
thermophilus) 		PF13458
(Peripla_BP_6) 		5 GLY A 370
ALA A 377
VAL A 373
GLU A 376
ILE A 174
 None
 1.00A 5i3cB-4zpjA:
3.3		 5i3cB-4zpjA:
21.38
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.
5a3k PUTATIVE
PTERIDINE-DEPENDENT
DIOXYGENASE

(Streptomyces
hygroscopicus) 		no annotation 5 GLY A  32
ALA A  65
VAL A  67
GLU A  66
ILE A  30
 None
 1.21A 5i3cB-5a3kA:
undetectable		 5i3cB-5a3kA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5az3 ABC-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Corynebacterium
glutamicum) 		PF01497
(Peripla_BP_2) 		5 GLY A  55
ALA A 329
VAL A 327
GLU A 352
ILE A 307
 None
 1.08A 5i3cB-5az3A:
undetectable		 5i3cB-5az3A:
22.99
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.
5b7n MTA/SAH NUCLEOSIDASE

(Aeromonas
hydrophila) 		PF01048
(PNP_UDP_1) 		5 GLY A 106
ALA A 196
GLU A 219
MET A 220
GLU A 221
 SAH  A 301 (-3.2A)
None
SAH  A 301 (-4.9A)
SAH  A 301 (-3.6A)
SAH  A 301 (-2.6A)
 0.66A 5i3cB-5b7nA:
24.0		 5i3cB-5b7nA:
24.73
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.42A 5i3cB-5dk6A:
24.6		 5i3cB-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.
5dy9 HFQ-LIKE PROTEIN

(Methanocaldococcus
jannaschii) 		PF17209
(Hfq) 		5 GLY A  44
ALA A  40
VAL A  42
GLU A  41
ILE A  50
 None
 1.18A 5i3cB-5dy9A:
undetectable		 5i3cB-5dy9A:
14.22
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.
5ija HYDROGENASE-SPECIFIC
MATURATION
ENDOPEPTIDASE

(Thermococcus
kodakarensis) 		PF01750
(HycI) 		5 GLY A 116
VAL A  69
GLU A  68
ASP A  57
ILE A 115
 None
 1.23A 5i3cB-5ijaA:
7.4		 5i3cB-5ijaA:
23.95
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.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		5 GLY A  80
VAL A 172
GLU A 173
MET A 174
GLU A 175
 4CT  A 301 (-3.4A)
4CT  A 301 ( 4.5A)
None
4CT  A 301 (-3.0A)
4CT  A 301 (-2.2A)
 0.44A 5i3cB-5k1zA:
24.4		 5i3cB-5k1zA:
25.50
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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		6 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
 TRS  A 302 (-2.8A)
9DA  A 301 (-3.5A)
None
TRS  A 302 ( 4.6A)
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
 0.42A 5i3cB-5ue1A:
25.0		 5i3cB-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.
5uj0 POLYNUCLEOTIDE
KINASE

(Escherichia
virus T4) 		no annotation 5 GLY A 290
ALA A 275
VAL A 291
GLU A 292
ILE A 289
 None
 1.04A 5i3cB-5uj0A:
undetectable		 5i3cB-5uj0A:
20.50
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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 5 SER B 320
VAL B 311
GLU B 255
ASP B 272
ILE B 270
 None
 1.18A 5i3cB-5ve3B:
undetectable		 5i3cB-5ve3B:
21.45
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.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 5 SER A 924
MET A 494
GLU A 498
ASP A 931
ILE A 932
 A  B   2 ( 4.0A)
A  B  -2 ( 4.0A)
None
A  B  -6 ( 3.9A)
None
 1.02A 5i3cB-5wlhA:
undetectable		 5i3cB-5wlhA:
10.16
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.
5xv9 COLD-SHOCK
DNA-BINDING DOMAIN
FAMILY PROTEIN

(Colwellia
psychrerythraea) 		no annotation 5 SER A   2
GLY A   4
VAL A  49
GLU A  50
ILE A  18
 None
 1.18A 5i3cB-5xv9A:
undetectable		 5i3cB-5xv9A:
13.27
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.
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
 1.14A 5i3cB-6cfwL:
undetectable		 5i3cB-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
 1.00A 5i3cB-6epdW:
undetectable		 5i3cB-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
GLY A  92
GLU A 179
MET A 180
GLU A 181
 None
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.33A 5i3cB-6g7xA:
38.8		 5i3cB-6g7xA:
undetectable