SIMILAR PATTERNS OF AMINO ACIDS FOR 1PK9_C_2FAC308

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.
1hsl HISTIDINE-BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		5 GLY A   9
VAL A  48
GLU A  49
SER A  69
ILE A  64
 None
None
None
HIS  A 239 (-4.6A)
None
 0.81A 1pk9C-1hslA:
undetectable		 1pk9C-1hslA:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		7 ARG A  86
GLY A  91
VAL A 179
GLU A 180
MET A 181
GLU A 182
SER A 204
 SO4  A 250 ( 3.1A)
FMB  A 270 (-3.3A)
FMB  A 270 (-4.6A)
FMB  A 270 (-4.6A)
FMB  A 270 (-3.8A)
FMB  A 270 (-2.8A)
FMB  A 270 (-3.2A)
 0.68A 1pk9C-1jdzA:
32.6		 1pk9C-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.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 MET A 461
GLY A 214
VAL A 453
SER A 217
ILE A 212
 None
 1.26A 1pk9C-1l1fA:
2.4		 1pk9C-1l1fA:
19.68
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 SER A 155
GLY A 149
VAL A 190
SER A 132
ILE A  65
 POP  A1155 (-1.5A)
None
None
None
None
 1.10A 1pk9C-1ocmA:
undetectable		 1pk9C-1ocmA:
22.56
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) 		8 MET A  65
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
ILE A 206
 ADN  A1237 (-4.1A)
SO4  A1236 ( 2.8A)
ADN  A1237 (-3.4A)
ADN  A1237 (-4.9A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
ADN  A1237 ( 3.7A)
ADN  A1237 (-4.4A)
 0.40A 1pk9C-1odiA:
35.1		 1pk9C-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.
1rx0 ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 8,
MITOCHONDRIAL

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 SER A 218
GLY A 215
GLU A  49
SER A  96
ASP A 368
 None
 1.18A 1pk9C-1rx0A:
undetectable		 1pk9C-1rx0A:
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.
1t8w AMP NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1)
PF10423
(AMNp_N) 		5 GLY A 307
MET A 404
GLU A 405
SER A 427
ASP A 428
 None
 0.44A 1pk9C-1t8wA:
24.5		 1pk9C-1t8wA:
19.05
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.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		5 GLY A  98
VAL A 184
MET A 186
GLU A 187
SER A 209
 None
 0.60A 1pk9C-1ybfA:
24.8		 1pk9C-1ybfA:
22.73
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.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		5 MET A  71
GLY A  98
VAL A 184
MET A 186
SER A 209
 None
 0.83A 1pk9C-1ybfA:
24.8		 1pk9C-1ybfA:
22.73
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) 		9 MET A  64
ARG A  87
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
ILE A 206
 2FD  A 300 (-3.8A)
2FD  A 300 ( 4.5A)
2FD  A 300 (-3.1A)
2FD  A 300 (-4.7A)
None
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
2FD  A 300 (-3.6A)
None
 0.49A 1pk9C-1z34A:
37.6		 1pk9C-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
 1.26A 1pk9C-1zk7A:
undetectable		 1pk9C-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) 		8 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
ASP A 197
 MTM  A 301 (-3.1A)
MTM  A 301 (-3.6A)
None
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
MTM  A 301 (-3.4A)
MTM  A 301 (-2.9A)
 0.45A 1pk9C-1zosA:
23.8		 1pk9C-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) 		7 ARG A  88
SER A  91
GLY A  93
VAL A 181
GLU A 182
MET A 183
GLU A 184
 NOS  A1248 ( 4.5A)
NOS  A1248 (-2.9A)
NOS  A1248 (-4.0A)
NOS  A1248 ( 4.4A)
None
NOS  A1248 (-3.4A)
NOS  A1248 (-3.1A)
 0.51A 1pk9C-2bsxA:
30.8		 1pk9C-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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		5 SER A 165
GLY A  87
VAL A 161
SER A 255
ILE A  86
 None
 1.20A 1pk9C-2f5vA:
undetectable		 1pk9C-2f5vA:
18.55
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.
2f5x BUGD

(Bordetella
pertussis) 		PF03401
(TctC) 		5 GLY A 224
VAL A 223
GLU A 222
ASP A  98
ILE A 225
 None
 1.19A 1pk9C-2f5xA:
undetectable		 1pk9C-2f5xA:
22.26
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.
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
 1.07A 1pk9C-2glfA:
6.5		 1pk9C-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.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE

(Neisseria
meningitidis) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 GLY A 750
VAL A 749
GLU A 772
SER A 775
ILE A 701
 None
 1.24A 1pk9C-2olsA:
undetectable		 1pk9C-2olsA:
15.08
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.
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
 1.20A 1pk9C-2ovjA:
undetectable		 1pk9C-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.
2we8 XANTHINE
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF02625
(XdhC_CoxI)
PF13478
(XdhC_C) 		5 SER A 178
VAL A 180
GLU A 179
SER A 199
ILE A 133
 None
 1.17A 1pk9C-2we8A:
2.6		 1pk9C-2we8A:
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.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		6 MET A  87
ARG A 137
GLY A 142
GLU A 284
MET A 285
GLU A 286
 R1P  A 401 ( 3.9A)
R1P  A 401 (-3.0A)
URA  A 501 (-3.4A)
R1P  A 401 ( 4.6A)
R1P  A 401 ( 3.9A)
R1P  A 401 (-2.6A)
 0.40A 1pk9C-3bjeA:
28.0		 1pk9C-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) 		8 SER A  75
GLY A  77
VAL A 170
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 FMC  A 229 (-3.0A)
FMC  A 229 (-3.6A)
FMC  A 229 ( 4.7A)
FMC  A 229 (-4.7A)
FMC  A 229 (-3.5A)
FMC  A 229 (-2.5A)
FMC  A 229 (-3.5A)
FMC  A 229 (-3.0A)
 0.35A 1pk9C-3bl6A:
25.2		 1pk9C-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
 1.02A 1pk9C-3c0kA:
undetectable		 1pk9C-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.
3cs3 SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Enterococcus
faecalis) 		PF13377
(Peripla_BP_3) 		5 GLY A 269
VAL A 272
GLU A 316
ASP A 237
ILE A 241
 None
 1.17A 1pk9C-3cs3A:
2.8		 1pk9C-3cs3A:
20.56
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.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		8 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
ASP A 198
 BIG  A 301 (-3.3A)
BIG  A 301 (-3.7A)
BIG  A 301 (-4.9A)
None
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
BIG  A 301 (-3.3A)
BIG  A 301 (-2.9A)
 0.40A 1pk9C-3dp9A:
24.7		 1pk9C-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.
3e18 OXIDOREDUCTASE

(Listeria
innocua) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A 209
VAL A 226
GLU A 225
SER A 199
ASP A 208
 None
 1.06A 1pk9C-3e18A:
undetectable		 1pk9C-3e18A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		8 SER A  79
GLY A  81
VAL A 175
GLU A 176
MET A 177
GLU A 178
SER A 200
ASP A 201
 MTM  A 234 (-3.1A)
MTM  A 234 (-3.9A)
MTM  A 234 ( 4.9A)
MTM  A 234 (-4.6A)
MTM  A 234 (-3.8A)
MTM  A 234 (-2.6A)
MTM  A 234 (-3.4A)
MTM  A 234 (-3.0A)
 0.41A 1pk9C-3eeiA:
24.8		 1pk9C-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) 		7 ARG A  89
SER A  92
GLY A  94
VAL A 182
GLU A 183
MET A 184
GLU A 185
 SO4  A 254 (-3.2A)
SO4  A 254 (-3.2A)
None
None
None
None
None
 0.35A 1pk9C-3emvA:
31.8		 1pk9C-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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		6 GLY A  94
VAL A 182
GLU A 183
MET A 184
GLU A 185
ASP A 207
 None
 1.14A 1pk9C-3emvA:
31.8		 1pk9C-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) 		6 MET A 110
ARG A 138
GLY A 143
GLU A 248
MET A 249
GLU A 250
 BAU  A 400 (-3.5A)
PO4  A 401 (-3.0A)
BAU  A 400 (-3.3A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
 0.21A 1pk9C-3eufA:
24.3		 1pk9C-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.
3g7k 3-METHYLITACONATE
ISOMERASE

(Eubacterium
barkeri) 		PF04303
(PrpF) 		5 ARG A 362
GLY A 342
VAL A 343
ASP A 275
ILE A 282
 None
 1.16A 1pk9C-3g7kA:
undetectable		 1pk9C-3g7kA:
21.39
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.
3goa 3-KETOACYL-COA
THIOLASE

(Salmonella
enterica) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 122
VAL A 124
MET A 126
SER A  17
ASP A 243
 None
 1.12A 1pk9C-3goaA:
undetectable		 1pk9C-3goaA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		5 GLY A 115
VAL A 214
MET A 216
SER A 239
ILE A 242
 None
None
TRS  A 294 (-3.7A)
None
None
 0.69A 1pk9C-3khsA:
21.8		 1pk9C-3khsA:
24.07
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.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		6 MET A 109
ARG A 137
GLY A 142
GLU A 247
MET A 248
GLU A 249
 R2B  A 313 (-3.9A)
SO4  A 311 ( 3.0A)
URA  A 312 (-3.3A)
R2B  A 313 ( 4.4A)
URA  A 312 ( 3.7A)
R2B  A 313 (-2.6A)
 0.21A 1pk9C-3kvyA:
24.8		 1pk9C-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.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		8 SER A  76
GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
ASP A 197
 4CT  A 233 (-3.2A)
4CT  A 233 (-3.8A)
4CT  A 233 ( 4.9A)
None
4CT  A 233 (-3.6A)
4CT  A 233 (-3.0A)
4CT  A 233 (-3.3A)
4CT  A 233 (-2.9A)
 0.37A 1pk9C-3o4vA:
24.7		 1pk9C-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) 		11 MET A  78
ARG A 101
SER A 104
GLY A 106
VAL A 192
GLU A 193
MET A 194
GLU A 195
SER A 217
ASP A 218
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)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
DIH  A 500 (-3.3A)
DIH  A 500 (-3.1A)
None
 0.27A 1pk9C-3of3A:
43.8		 1pk9C-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) 		6 MET A 116
ARG A 144
GLY A 149
GLU A 254
MET A 255
GLU A 256
 BAU  A 400 (-3.4A)
None
BAU  A 400 (-3.5A)
None
BAU  A 400 (-3.9A)
None
 0.24A 1pk9C-3p0fA:
24.0		 1pk9C-3p0fA:
24.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qpb URIDINE
PHOSPHORYLASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 ARG A  94
GLY A  99
GLU A 196
MET A 197
GLU A 198
 R1P  A1254 (-3.1A)
URA  A1255 (-3.2A)
R1P  A1254 ( 4.4A)
R1P  A1254 (-3.9A)
R1P  A1254 (-2.6A)
 0.32A 1pk9C-3qpbA:
32.3		 1pk9C-3qpbA:
31.29
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) 		9 ARG A  92
SER A  95
GLY A  97
VAL A 182
GLU A 183
MET A 184
GLU A 185
SER A 207
ASP A 208
 SO4  A 239 (-3.2A)
SO4  A 239 (-3.4A)
None
None
None
None
SO4  A 239 ( 4.4A)
None
None
 0.67A 1pk9C-3tl6A:
35.4		 1pk9C-3tl6A:
48.35
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) 		9 MET A  69
ARG A  92
SER A  95
GLY A  97
VAL A 182
GLU A 183
MET A 184
GLU A 185
ASP A 208
 None
SO4  A 239 (-3.2A)
SO4  A 239 (-3.4A)
None
None
None
None
SO4  A 239 ( 4.4A)
None
 0.70A 1pk9C-3tl6A:
35.4		 1pk9C-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
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A  94
 None
SO4  A 236 (-2.7A)
None
None
None
None
SO4  A 236 ( 4.4A)
None
 1.44A 1pk9C-3uavA:
36.5		 1pk9C-3uavA:
55.74
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
ARG A  87
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
ILE A 206
 None
SO4  A 236 (-2.7A)
None
None
None
None
SO4  A 236 ( 4.4A)
None
None
 0.54A 1pk9C-3uavA:
36.5		 1pk9C-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.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2

(Homo sapiens) 		PF10250
(O-FucT) 		5 ARG A 303
SER A 387
GLY A 383
SER A 390
ILE A 382
 None
 1.24A 1pk9C-4ap5A:
undetectable		 1pk9C-4ap5A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aut DECAPRENYL-PHOSPHORY
L-BETA-D-RIBOFURANOS
E-2-OXIDOREDUCTASE

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLY A 150
VAL A 153
SER A 148
ASP A 137
ILE A 134
 None
 1.18A 1pk9C-4autA:
undetectable		 1pk9C-4autA:
19.92
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) 		9 ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ILE A  94
 None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
None
 1.36A 1pk9C-4daoA:
36.1		 1pk9C-4daoA:
53.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		6 ARG A  87
VAL A 177
GLU A 178
MET A 179
GLU A 180
ILE A 166
 None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
None
 1.36A 1pk9C-4daoA:
36.1		 1pk9C-4daoA:
53.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		10 MET A  64
ARG A  87
SER A  90
GLY A  92
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-3.5A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.1A)
 0.61A 1pk9C-4daoA:
36.1		 1pk9C-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.
4eex ALCOHOL
DEHYDROGENASE 1

(Lactococcus
lactis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 144
GLY A  37
VAL A  38
SER A 143
ILE A 336
 None
 0.85A 1pk9C-4eexA:
undetectable		 1pk9C-4eexA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3t OXIDOREDUCTASE DPRE1

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLY A 150
VAL A 153
SER A 148
ASP A 137
ILE A 134
 None
 1.19A 1pk9C-4g3tA:
undetectable		 1pk9C-4g3tA:
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.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.91A 1pk9C-4g41A:
24.8		 1pk9C-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.
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)
 0.72A 1pk9C-4g41A:
24.8		 1pk9C-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.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 VAL  A 171 ( 0.6A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.74A 1pk9C-4g41A:
24.8		 1pk9C-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.
4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 142
GLY A  35
VAL A  36
SER A 141
ILE A 332
 None
 0.87A 1pk9C-4gkvA:
2.3		 1pk9C-4gkvA:
22.60
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.
4gys ALLOPHANATE
HYDROLASE

(Granulibacter
bethesdensis) 		PF01425
(Amidase) 		5 SER A 172
GLY A 166
VAL A 207
SER A 149
ILE A  77
 MLI  A1000 (-4.2A)
None
None
None
None
 1.13A 1pk9C-4gysA:
undetectable		 1pk9C-4gysA:
17.68
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 SER A 177
GLY A 171
VAL A 212
SER A 154
ILE A  82
 TAR  A 701 (-2.7A)
None
None
None
None
 1.09A 1pk9C-4issA:
undetectable		 1pk9C-4issA:
17.17
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.
4iyj GDSL-LIKE PROTEIN

(Bacteroides
uniformis) 		PF13472
(Lipase_GDSL_2) 		5 GLY A 106
VAL A 145
SER A  82
ASP A 109
ILE A 110
 None
 1.23A 1pk9C-4iyjA:
5.7		 1pk9C-4iyjA:
23.67
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.
4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE

(Francisella
philomiragia) 		PF01048
(PNP_UDP_1) 		6 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
ADE  A 301 (-2.8A)
 0.44A 1pk9C-4josA:
24.3		 1pk9C-4josA:
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.
4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE

(Sulfurimonas
denitrificans) 		PF01048
(PNP_UDP_1) 		6 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
ASP A 196
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
ADE  A 305 (-2.8A)
 0.41A 1pk9C-4jwtA:
24.1		 1pk9C-4jwtA:
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.
4kw5 OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLY A 143
VAL A 146
SER A 141
ASP A 130
ILE A 127
 None
 1.21A 1pk9C-4kw5A:
undetectable		 1pk9C-4kw5A:
20.43
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.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		7 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ASP A 204
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
ADE  A 301 (-3.0A)
 0.33A 1pk9C-4l0mA:
23.9		 1pk9C-4l0mA:
24.91
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.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		7 SER A  79
GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
ILE A  83
 ADE  A 301 (-3.5A)
ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
None
 1.20A 1pk9C-4l0mA:
23.9		 1pk9C-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) 		6 ARG A  88
GLY A 178
VAL A 179
GLU A 180
GLU A 182
ILE A  95
 PO4  A 301 (-2.9A)
None
None
None
PO4  A 301 ( 4.7A)
None
 1.38A 1pk9C-4ldnA:
37.6		 1pk9C-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) 		7 ARG A  88
SER A  91
GLY A  93
VAL A 179
GLU A 180
GLU A 182
ILE A  95
 PO4  A 301 (-2.9A)
PO4  A 301 (-3.0A)
None
None
None
PO4  A 301 ( 4.7A)
None
 1.27A 1pk9C-4ldnA:
37.6		 1pk9C-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) 		7 MET A  65
ARG A  88
SER A  91
GLU A 180
GLU A 182
ASP A 205
ILE A 207
 None
PO4  A 301 (-2.9A)
PO4  A 301 (-3.0A)
None
PO4  A 301 ( 4.7A)
None
None
 0.84A 1pk9C-4ldnA:
37.6		 1pk9C-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) 		9 MET A  65
ARG A  88
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 (-2.9A)
PO4  A 301 (-3.0A)
None
None
None
None
PO4  A 301 ( 4.7A)
None
 0.47A 1pk9C-4ldnA:
37.6		 1pk9C-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) 		7 MET A  64
ARG A  87
SER A  90
GLY A  92
MET A 180
GLU A 181
SER A 203
 None
 0.59A 1pk9C-4lkrA:
36.2		 1pk9C-4lkrA:
50.00
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.
4lnq INTERFERON-ACTIVABLE
PROTEIN 202

(Mus musculus) 		PF02760
(HIN) 		5 MET A  62
SER A  91
VAL A 144
GLU A  90
ILE A 149
 None
 1.27A 1pk9C-4lnqA:
undetectable		 1pk9C-4lnqA:
19.35
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.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 GLY B 295
VAL B 283
GLU B 282
ASP B 298
ILE B 299
 None
None
GOL  B 406 ( 4.7A)
None
None
 1.24A 1pk9C-4lrsB:
2.6		 1pk9C-4lrsB:
21.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		6 GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
ILE A  94
 None
 1.46A 1pk9C-4m3nA:
36.6		 1pk9C-4m3nA:
52.16
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) 		7 MET A  64
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
 0.56A 1pk9C-4m3nA:
36.6		 1pk9C-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) 		9 MET A  65
ARG A  88
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
SER A 204
ASP A 205
 None
PO4  A 400 (-3.0A)
None
None
None
None
PO4  A 400 ( 4.4A)
None
None
 0.60A 1pk9C-4m7wA:
37.2		 1pk9C-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.
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 1pk9C-4mchA:
30.9		 1pk9C-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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		5 SER A 154
GLY A 148
VAL A 189
SER A 131
ILE A  55
 GLN  A 501 (-1.2A)
None
None
None
None
 1.13A 1pk9C-4n0iA:
undetectable		 1pk9C-4n0iA:
20.09
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		7 SER A  65
GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
ASP A 168
 ADE  A 501 (-3.5A)
ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
ADE  A 501 (-2.8A)
 0.35A 1pk9C-4pr3A:
13.6		 1pk9C-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 GLY B  79
VAL B 172
GLU B 173
SER B 197
ASP B 198
 None
None
TRS  B 302 ( 4.8A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 1.25A 1pk9C-4qezB:
24.0		 1pk9C-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.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 8 SER B  76
GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
ASP B 198
 TRS  B 302 (-2.8A)
ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
ADE  B 301 (-2.4A)
 0.44A 1pk9C-4qezB:
24.0		 1pk9C-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.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 6 GLY A  74
VAL A 135
MET A 137
GLU A 138
SER A 160
ASP A 161
 None
 0.39A 1pk9C-4qfbA:
18.1		 1pk9C-4qfbA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
GLY A  93
GLU A 193
MET A 194
GLU A 195
ILE A  95
 SO4  A 302 ( 2.8A)
None
GOL  A 303 (-4.9A)
GOL  A 303 (-3.5A)
GOL  A 303 (-2.9A)
None
 1.34A 1pk9C-4r2wA:
31.4		 1pk9C-4r2wA:
31.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Streptococcus
agalactiae) 		PF01048
(PNP_UDP_1) 		7 ARG A 109
GLY A 114
GLU A 201
MET A 202
GLU A 203
SER A 225
ILE A 116
 SO4  A 301 (-2.8A)
None
None
None
SO4  A 301 ( 4.4A)
None
None
 1.34A 1pk9C-4tymA:
36.2		 1pk9C-4tymA:
44.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Streptococcus
agalactiae) 		PF01048
(PNP_UDP_1) 		7 MET A  86
ARG A 109
GLY A 114
GLU A 201
MET A 202
GLU A 203
SER A 225
 None
SO4  A 301 (-2.8A)
None
None
None
SO4  A 301 ( 4.4A)
None
 0.53A 1pk9C-4tymA:
36.2		 1pk9C-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.
4v39 SIALYLTRANSFERASE

(Pasteurella
dagmatis) 		PF11477
(PM0188) 		5 SER A  35
GLY A  33
VAL A  53
GLU A  54
ILE A  31
 None
 1.18A 1pk9C-4v39A:
2.5		 1pk9C-4v39A:
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.
4xru HEN1

(Capnocytophaga
gingivalis) 		no annotation 5 GLY C 271
VAL C 339
GLU C 338
ASP C 269
ILE C 270
 SAH  C 501 (-3.4A)
SAH  C 501 ( 3.8A)
None
None
None
 1.11A 1pk9C-4xruC:
undetectable		 1pk9C-4xruC:
20.09
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.
4y0w YEAZ

(Pseudomonas
aeruginosa) 		PF00814
(Peptidase_M22) 		5 GLY A  63
VAL A  93
GLU A 141
SER A  10
ASP A   8
 None
None
None
NA  A 302 (-3.5A)
NA  A 302 (-3.6A)
 1.05A 1pk9C-4y0wA:
undetectable		 1pk9C-4y0wA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7n MTA/SAH NUCLEOSIDASE

(Aeromonas
hydrophila) 		PF01048
(PNP_UDP_1) 		5 GLY A 106
GLU A 219
MET A 220
GLU A 221
SER A 243
 SAH  A 301 (-3.2A)
SAH  A 301 (-4.9A)
SAH  A 301 (-3.6A)
SAH  A 301 (-2.6A)
SAH  A 301 ( 4.0A)
 0.25A 1pk9C-5b7nA:
24.0		 1pk9C-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.
5c2i ALR1585 PROTEIN

(Nostoc sp. PCC
7120) 		PF04261
(Dyp_perox) 		5 SER A 250
GLY A 252
VAL A 240
GLU A 241
SER A 461
 None
 1.14A 1pk9C-5c2iA:
undetectable		 1pk9C-5c2iA:
18.38
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		8 SER A  76
GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
ASP A 203
 ADE  A 302 ( 3.7A)
ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
ADE  A 302 (-2.9A)
 0.38A 1pk9C-5dk6A:
24.6		 1pk9C-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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 SER A 177
GLY A 171
VAL A 212
SER A 154
ILE A  82
 None
 1.06A 1pk9C-5i8iA:
undetectable		 1pk9C-5i8iA:
9.03
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.
5iz1 FRUCTOSE-1,6-BISPHOS
PHATASE

(Physcomitrella
patens) 		PF00316
(FBPase) 		5 GLY A 276
VAL A 267
MET A 259
SER A 289
ILE A 293
 None
 0.97A 1pk9C-5iz1A:
undetectable		 1pk9C-5iz1A:
22.97
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.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		7 GLY A  80
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
ASP A 198
 4CT  A 301 (-3.4A)
4CT  A 301 ( 4.5A)
None
4CT  A 301 (-3.0A)
4CT  A 301 (-2.2A)
4CT  A 301 ( 2.8A)
4CT  A 301 (-2.2A)
 0.39A 1pk9C-5k1zA:
24.8		 1pk9C-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.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		5 MET A  10
GLY A  80
GLU A 173
SER A 197
ASP A 198
 4CT  A 301 ( 2.9A)
4CT  A 301 (-3.4A)
None
4CT  A 301 ( 2.8A)
4CT  A 301 (-2.2A)
 1.16A 1pk9C-5k1zA:
24.8		 1pk9C-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.
5kyu PROTEIN TRANSPORT
PROTEIN SEC24D

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 SER B 452
VAL B 459
SER B 583
ASP B 448
ILE B 447
 None
 1.26A 1pk9C-5kyuB:
undetectable		 1pk9C-5kyuB:
16.74
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.
5l8s AMINO ACYL PEPTIDASE

(Sporosarcina
psychrophila) 		PF00326
(Peptidase_S9) 		5 MET A 528
GLY A 456
VAL A 479
MET A 532
ILE A 481
 None
 1.24A 1pk9C-5l8sA:
2.1		 1pk9C-5l8sA:
19.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 ARG A  90
GLY A  95
GLU A 195
MET A 196
GLU A 197
ILE A  97
 SO4  A 301 ( 3.0A)
URI  A 303 ( 3.4A)
URI  A 303 ( 4.6A)
URI  A 303 ( 3.7A)
URI  A 303 (-2.7A)
None
 1.31A 1pk9C-5lhvA:
30.2		 1pk9C-5lhvA:
31.70
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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		8 SER A  76
GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
ASP A 198
 TRS  A 302 (-2.8A)
9DA  A 301 (-3.5A)
None
TRS  A 302 ( 4.6A)
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
9DA  A 301 (-3.2A)
9DA  A 301 (-2.8A)
 0.43A 1pk9C-5ue1A:
24.8		 1pk9C-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.
5uoh CARBOXYLESTERASE A

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 GLY A 202
VAL A 206
SER A 442
ASP A 395
ILE A 391
 None
 1.09A 1pk9C-5uohA:
undetectable		 1pk9C-5uohA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g7x -

(-) 		no annotation 6 ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
ILE A  94
 PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 1.36A 1pk9C-6g7xA:
38.0		 1pk9C-6g7xA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g7x -

(-) 		no annotation 7 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.57A 1pk9C-6g7xA:
38.0		 1pk9C-6g7xA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ggp AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		no annotation 5 SER A  35
GLY A  33
VAL A  72
SER A  93
ILE A  88
 None
 1.22A 1pk9C-6ggpA:
undetectable		 1pk9C-6ggpA:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gpc -

(-) 		no annotation 5 SER A  16
GLY A  14
VAL A  53
SER A  74
ILE A  69
 ARG  A 301 (-3.9A)
None
None
ARG  A 301 (-3.0A)
None
 1.23A 1pk9C-6gpcA:
undetectable		 1pk9C-6gpcA:
undetectable