SIMILAR PATTERNS OF AMINO ACIDS FOR 3UBO_A_ADNA353_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Toxoplasma
gondii) 		PF00294
(PfkB) 		9 ASN A  20
ILE A  22
ASP A  24
GLY A  68
GLY A  69
SER A  70
ASN A  73
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 ( 4.3A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
CL  A 385 (-4.7A)
ADN  A 375 ( 4.9A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.73A 3uboA-1dgmA:
35.4		 3uboA-1dgmA:
28.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		9 ILE A  22
ASP A  24
GLY A  68
GLY A  69
SER A  70
ASN A  73
THR A 140
GLY A 315
ASP A 318
 ADN  A 375 ( 4.3A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
CL  A 385 (-4.7A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.73A 3uboA-1dgmA:
35.4		 3uboA-1dgmA:
28.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iok CHAPERONIN 60

(Paracoccus
denitrificans) 		PF00118
(Cpn60_TCP1) 		5 ILE A 162
GLY A 148
GLY A 159
ARG A 395
GLY A 154
 None
 0.92A 3uboA-1iokA:
undetectable		 3uboA-1iokA:
23.42
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  16
GLY A  41
GLY A  42
ASN A  46
ASP A 255
 RIB  A 311 (-2.8A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.4A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.1A)
 0.30A 3uboA-1rk2A:
34.8		 3uboA-1rk2A:
28.07
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 GLY A  41
GLY A  42
ASN A  46
GLU A 143
ASP A 255
 RIB  A 311 (-3.3A)
RIB  A 311 (-3.4A)
RIB  A 311 (-3.3A)
RIB  A 311 (-2.5A)
RIB  A 311 (-3.1A)
 0.85A 3uboA-1rk2A:
34.8		 3uboA-1rk2A:
28.07
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		6 ASP A  16
GLY A  30
GLY A  31
ASN A  35
GLY A 249
ASP A 252
 AIS  A 402 (-2.5A)
AIS  A 402 ( 4.2A)
AIS  A 402 (-3.8A)
AIS  A 402 (-3.9A)
AIS  A 402 ( 4.5A)
AIS  A 402 (-3.0A)
 0.46A 3uboA-1tz6A:
34.3		 3uboA-1tz6A:
27.59
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.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		6 ASP A  34
GLY A 111
GLY A 112
ARG A 197
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
AMP  A1456 ( 4.3A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.61A 3uboA-1ua4A:
24.3		 3uboA-1ua4A:
24.44
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.
1uxi MALATE DEHYDROGENASE

(Chloroflexus
aurantiacus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 123
GLY A 174
GLY A 176
GLY A 145
ASP A 148
 None
 0.95A 3uboA-1uxiA:
6.3		 3uboA-1uxiA:
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.
1uxz CELLULASE B

(Cellvibrio
mixtus) 		PF03422
(CBM_6) 		5 ASN A  65
ASP A  35
GLY A 118
GLY A 119
GLY A  32
 None
 1.00A 3uboA-1uxzA:
undetectable		 3uboA-1uxzA:
13.28
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		6 GLY A  33
GLY A  34
ASN A  38
GLU A  36
GLY A 248
ASP A 251
 None
 0.71A 3uboA-1v19A:
35.2		 3uboA-1v19A:
27.39
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  39
GLY A  40
ASN A  44
ASP A 246
 None
 0.52A 3uboA-1vm7A:
29.5		 3uboA-1vm7A:
23.60
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 GLY A  39
GLY A  40
ASN A  44
GLU A 137
ASP A 246
 None
 0.94A 3uboA-1vm7A:
29.5		 3uboA-1vm7A:
23.60
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.
1w5f CELL DIVISION
PROTEIN FTSZ

(Thermotoga
maritima) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  30
GLY A  31
ASN A  54
GLY A  80
ASP A  56
 G2P  A 500 (-3.5A)
G2P  A 500 (-3.1A)
MG  A 501 ( 4.5A)
G2P  A 500 ( 3.7A)
None
 0.98A 3uboA-1w5fA:
8.1		 3uboA-1w5fA:
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 ILE A 171
GLY A 172
ASN A 242
ARG A 109
THR A 127
 None
None
None
PQQ  A1596 (-3.3A)
None
 0.98A 3uboA-1w6sA:
undetectable		 3uboA-1w6sA:
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.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		6 GLY A  34
SER A  35
ASN A  38
GLU A  36
GLY A 253
ASP A 256
 None
 0.86A 3uboA-1wyeA:
36.6		 3uboA-1wyeA:
25.27
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  36
GLY A  37
ASN A  41
GLY A 246
 None
 1.00A 3uboA-2abqA:
25.7		 3uboA-2abqA:
25.07
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  36
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 0.45A 3uboA-2abqA:
25.7		 3uboA-2abqA:
25.07
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 GLY A  32
GLY A  33
ASN A  37
GLU A  35
GLY A 277
ASP A 280
 None
 0.78A 3uboA-2afbA:
32.0		 3uboA-2afbA:
24.38
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		7 ASN A   8
ASP A  12
GLY A  39
GLY A  40
ASN A  44
GLY A 258
ASP A 261
 None
ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
None
 0.86A 3uboA-2ajrA:
24.7		 3uboA-2ajrA:
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 ASN A   8
GLY A  40
ASN A  44
ARG A 194
GLY A 258
ASP A 261
 None
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
None
None
 1.37A 3uboA-2ajrA:
24.7		 3uboA-2ajrA:
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		6 ASP A  17
GLY A  42
GLY A  43
ASN A  47
GLY A 244
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
None
ADN  A1301 (-2.9A)
 0.59A 3uboA-2c49A:
31.7		 3uboA-2c49A:
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  37
ASN A  41
GLY A 252
ASP A 255
 None
None
None
None
ATP  A 411 (-3.6A)
ATP  A 411 (-4.1A)
 1.14A 3uboA-2f02A:
25.4		 3uboA-2f02A:
23.43
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		5 ILE A  57
GLY A 581
GLY A 582
ASN A 585
THR A  60
 FAD  A1625 (-4.0A)
None
FAD  A1625 ( 3.9A)
None
None
 0.95A 3uboA-2f5vA:
undetectable		 3uboA-2f5vA:
20.23
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.
2gk3 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF07090
(GATase1_like) 		5 ILE A 130
GLY A 129
ASN A 187
GLU A 157
GLY A 122
 None
 0.98A 3uboA-2gk3A:
3.8		 3uboA-2gk3A:
20.38
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.
2hjr MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 135
GLY A 186
GLY A 188
GLY A 157
ASP A 160
 None
 0.99A 3uboA-2hjrA:
6.5		 3uboA-2hjrA:
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.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.62A 3uboA-2i6bA:
33.0		 3uboA-2i6bA:
27.04
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.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 ASN A  14
ASP A  18
GLY A  64
ASN A  68
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
None
None
 0.98A 3uboA-2i6bA:
33.0		 3uboA-2i6bA:
27.04
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.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 ASP A  18
GLY A  63
GLY A  64
SER A  65
ASN A  68
ASP A 300
 None
None
89I  A 500 (-3.5A)
89I  A 500 (-2.3A)
None
None
 0.76A 3uboA-2i6bA:
33.0		 3uboA-2i6bA:
27.04
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.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 ASP A  18
GLY A  64
SER A  65
ASN A  68
GLY A 297
ASP A 300
 None
89I  A 500 (-3.5A)
89I  A 500 (-2.3A)
None
None
None
 1.03A 3uboA-2i6bA:
33.0		 3uboA-2i6bA:
27.04
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  36
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 0.74A 3uboA-2jg5A:
25.0		 3uboA-2jg5A:
23.99
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.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  37
GLY A  38
ASN A  42
ASP A 253
 None
None
CL  A 403 (-3.5A)
None
None
 0.89A 3uboA-2nwhA:
25.3		 3uboA-2nwhA:
29.49
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.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		5 ASN A 178
GLY A 183
GLY A 184
SER A 185
THR A 175
 UTP  A 501 ( 4.9A)
None
None
None
None
 1.00A 3uboA-2q0fA:
undetectable		 3uboA-2q0fA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		7 ASP A  22
GLY A  43
GLY A  44
SER A  45
ASN A  48
GLY A 269
ASP A 272
 None
None
None
PGE  A 332 ( 4.0A)
None
None
PGE  A 332 (-3.6A)
 0.55A 3uboA-2qcvA:
34.1		 3uboA-2qcvA:
27.23
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		6 GLY A  34
SER A  35
ASN A  38
GLU A  36
GLY A 255
ASP A 258
 KDG  A1313 ( 3.3A)
KDG  A1313 ( 3.8A)
KDF  A1314 ( 4.2A)
None
ANP  A1315 (-3.0A)
KDF  A1314 (-2.8A)
 0.73A 3uboA-2varA:
35.9		 3uboA-2varA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x0i MALATE DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 ASP A 143
GLY A 288
GLY A 193
ASN A 165
GLY A 164
ASP A 168
 None
None
None
None
NAI  A1000 ( 4.1A)
None
 1.37A 3uboA-2x0iA:
6.2		 3uboA-2x0iA:
24.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 250
ASP A 253
 AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.4A)
AMP  A 501 (-2.8A)
 0.49A 3uboA-3b1rA:
30.6		 3uboA-3b1rA:
25.27
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 ASP A  15
GLY A  40
GLY A  41
ASN A  45
GLY A 255
ASP A 258
 None
 0.73A 3uboA-3b3lA:
26.9		 3uboA-3b3lA:
26.57
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 GLY A  40
GLY A  41
ASN A  45
GLU A 139
GLY A 255
ASP A 258
 None
 0.52A 3uboA-3b3lA:
26.9		 3uboA-3b3lA:
26.57
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.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 ILE A 131
GLY A 107
GLY A 106
GLY A 136
ASP A 135
 None
 0.94A 3uboA-3b9eA:
2.5		 3uboA-3b9eA:
21.20
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.
3bf5 RIBOKINASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF00294
(PfkB) 		5 GLY A  37
GLY A  38
ASN A  42
GLY A 224
ASP A 227
 None
 0.56A 3uboA-3bf5A:
22.5		 3uboA-3bf5A:
23.35
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 ILE A 584
GLY A 493
GLY A 585
SER A 586
ASP A 282
 None
 0.99A 3uboA-3cf4A:
3.9		 3uboA-3cf4A:
18.24
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.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 ASP A 143
GLY A 288
GLY A 193
ASN A 165
ARG A 109
ASP A 168
 None
None
None
None
OXQ  A 708 (-4.0A)
None
 0.99A 3uboA-3czmA:
6.0		 3uboA-3czmA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  33
GLY A  34
ASN A  38
ASP A 247
 None
 0.38A 3uboA-3ewmA:
32.4		 3uboA-3ewmA:
28.16
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  34
ASN A  38
GLY A 244
ASP A 247
 None
 0.82A 3uboA-3ewmA:
32.4		 3uboA-3ewmA:
28.16
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 ASP A  25
GLY A  50
GLY A  51
ASN A  55
GLY A 239
ASP A 242
 RIB  A 305 (-2.8A)
RIB  A 305 ( 3.7A)
RIB  A 305 (-3.1A)
RIB  A 305 (-3.2A)
RIB  A 305 ( 4.5A)
RIB  A 305 (-2.9A)
 0.42A 3uboA-3go7A:
30.6		 3uboA-3go7A:
28.46
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 GLY A  50
GLY A  51
ASN A  55
GLU A 146
GLY A 239
 RIB  A 305 ( 3.7A)
RIB  A 305 (-3.1A)
RIB  A 305 (-3.2A)
RIB  A 305 (-2.6A)
RIB  A 305 ( 4.5A)
 0.83A 3uboA-3go7A:
30.6		 3uboA-3go7A:
28.46
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.
3gre SERINE/THREONINE-PRO
TEIN KINASE VPS15

(Saccharomyces
cerevisiae) 		no annotation 5 ASN A1347
GLY A1295
SER A1298
GLY A1272
ASP A1273
 None
 0.78A 3uboA-3greA:
undetectable		 3uboA-3greA:
19.59
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		6 ASP A  33
GLY A  54
GLY A  55
SER A  56
ASN A  59
ASP A 275
 None
 0.59A 3uboA-3hj6A:
28.7		 3uboA-3hj6A:
25.67
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		6 ASN A 138
GLY A  37
GLY A  38
ASN A  42
GLY A 229
ASP A 232
 None
 1.10A 3uboA-3i3yA:
26.2		 3uboA-3i3yA:
25.97
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  37
GLY A  38
ASN A  42
GLY A 229
ASP A 232
 None
 0.75A 3uboA-3i3yA:
26.2		 3uboA-3i3yA:
25.97
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  37
GLY A  38
ASN A  42
THR A 107
GLY A 229
 None
 0.68A 3uboA-3i3yA:
26.2		 3uboA-3i3yA:
25.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		7 ILE A  13
ASP A  15
GLY A  41
GLY A  42
ASN A  46
GLY A 257
ASP A 260
 None
None
None
None
None
NA  A 411 ( 4.9A)
None
 0.82A 3uboA-3in1A:
31.0		 3uboA-3in1A:
30.30
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		7 ASP A  12
GLY A  26
GLY A  27
SER A  28
ARG A  94
GLY A 234
ASP A 237
 AMP  A 509 (-2.8A)
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
AMP  A 509 ( 4.5A)
AMP  A 509 (-2.7A)
AMP  A 509 (-3.3A)
AMP  A 509 ( 3.3A)
 1.18A 3uboA-3kd6A:
28.8		 3uboA-3kd6A:
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.
3kzh PROBABLE SUGAR
KINASE

(Clostridium
perfringens) 		PF00294
(PfkB) 		5 GLY A  42
GLY A  43
ASN A  47
GLY A 254
ASP A 257
 None
 0.48A 3uboA-3kzhA:
27.6		 3uboA-3kzhA:
24.27
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.
3lki FRUCTOKINASE

(Xylella
fastidiosa) 		PF00294
(PfkB) 		5 ASN A 146
ASP A  24
GLY A  44
GLY A  45
ASN A  49
 None
 0.89A 3uboA-3lkiA:
26.2		 3uboA-3lkiA:
27.98
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.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		8 ASN A  14
ASP A  18
GLY A  63
GLY A  64
SER A  65
ASN A  68
GLY A 297
ASP A 300
 B4P  A 349 ( 4.0A)
B4P  A 349 (-2.8A)
B4P  A 349 ( 3.8A)
B4P  A 349 (-3.5A)
CL  A 351 ( 4.6A)
B4P  A 349 (-3.6A)
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
 0.30A 3uboA-3looA:
38.9		 3uboA-3looA:
29.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oth CALG1

(Micromonospora
echinospora) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		5 GLY A 296
GLY A 297
THR A 231
GLY A 318
ASP A 319
 None
TYD  A 393 (-3.6A)
TYD  A 393 (-3.1A)
CLJ  A 394 (-3.8A)
None
 0.95A 3uboA-3othA:
6.9		 3uboA-3othA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		7 ASN A  13
ASP A  17
GLY A  62
GLY A  63
SER A  64
ASN A  67
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
NA  A 347 (-4.8A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.32A 3uboA-3otxA:
38.2		 3uboA-3otxA:
28.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pj0 LMO0305 PROTEIN

(Listeria
monocytogenes) 		PF01212
(Beta_elim_lyase) 		5 ILE A 209
GLY A 210
ASN A  19
GLY A 336
ASP A 337
 None
LLP  A 207 ( 3.6A)
None
None
None
 0.92A 3uboA-3pj0A:
3.6		 3uboA-3pj0A:
22.00
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		7 ASP A  19
GLY A  40
GLY A  41
SER A  42
ASN A  45
GLY A 261
ASP A 264
 None
 0.45A 3uboA-3pl2A:
33.6		 3uboA-3pl2A:
25.00
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 GLY A  41
SER A  42
ASN A  45
THR A  97
ASP A 264
 None
 0.95A 3uboA-3pl2A:
33.6		 3uboA-3pl2A:
25.00
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.
3pqv RCL1 PROTEIN

(Kluyveromyces
lactis) 		PF01137
(RTC)
PF05189
(RTC_insert) 		6 ILE A 129
ASP A 130
GLY A 128
SER A 122
THR A 152
GLY A 241
 None
 1.32A 3uboA-3pqvA:
undetectable		 3uboA-3pqvA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  37
GLY A  38
GLY A 248
ASP A 251
 None
 1.06A 3uboA-3q1yA:
26.2		 3uboA-3q1yA:
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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  40
GLY A  41
ASN A  45
ASP A 254
 GOL  A 401 (-3.1A)
GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
None
 0.54A 3uboA-3ry7A:
28.4		 3uboA-3ry7A:
25.26
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.
3soz CYTOPLASMIC PROTEIN
STM1381

(Salmonella
enterica) 		PF07090
(GATase1_like) 		5 ILE A 123
GLY A 122
ASN A 180
GLU A 150
GLY A 115
 None
 0.95A 3uboA-3sozA:
3.5		 3uboA-3sozA:
21.27
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  38
GLY A  39
ASN A  43
ARG A 105
 None
 0.74A 3uboA-3uqeA:
26.0		 3uboA-3uqeA:
23.59
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  38
GLY A  39
ASN A  43
ASP A 256
 None
 0.71A 3uboA-3uqeA:
26.0		 3uboA-3uqeA:
23.59
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.
3usz EXO-1,3/1,4-BETA-GLU
CANASE

(Pseudoalteromonas
sp. BB1) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 ILE A 127
GLY A 130
GLY A 128
SER A 396
GLY A 577
 None
 1.00A 3uboA-3uszA:
3.9		 3uboA-3uszA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		8 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
THR A 136
GLY A 299
ASP A 302
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.1A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 0.44A 3uboA-3vasA:
40.0		 3uboA-3vasA:
25.42
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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		5 ASP A  18
ARG A 132
THR A 136
GLY A 299
ASP A 302
 ADN  A 401 (-2.7A)
None
ADN  A 401 (-3.1A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 0.98A 3uboA-3vasA:
40.0		 3uboA-3vasA:
25.42
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.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		6 ASP A  42
GLY A 119
GLY A 120
ARG A 205
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
None
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.69A 3uboA-4b8sA:
23.1		 3uboA-4b8sA:
22.55
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.
4d70 SORTASE FAMILY
PROTEIN

(Clostridium
perfringens) 		PF04203
(Sortase) 		5 ASN A 115
ILE A  89
GLY A  90
THR A  74
GLY A  59
 None
 0.96A 3uboA-4d70A:
undetectable		 3uboA-4d70A:
17.20
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.
4dza LYSINE RACEMASE

(Proteus
mirabilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 170
GLY A 169
SER A 168
ASN A 167
GLY A 175
 None
 1.00A 3uboA-4dzaA:
2.4		 3uboA-4dzaA:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		12 ASN A   9
ILE A  11
ASP A  13
GLY A  56
GLY A  57
SER A  58
ASN A  61
ARG A 123
THR A 127
GLU A 154
GLY A 273
ASP A 276
 ADN  A 500 (-3.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.5A)
None
ADN  A 500 (-3.0A)
ADN  A 500 (-3.0A)
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 0.38A 3uboA-4e3aA:
57.0		 3uboA-4e3aA:
71.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		6 GLY A  60
SER A  58
ASN A  61
GLU A 154
GLY A 273
ASP A 276
 None
ADN  A 500 (-3.3A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 1.42A 3uboA-4e3aA:
57.0		 3uboA-4e3aA:
71.88
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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		6 ASP A  29
GLY A  58
GLY A  59
ASN A  62
GLY A 267
ASP A 270
 M7B  A 502 (-2.9A)
M7B  A 502 (-3.4A)
M7B  A 502 (-3.6A)
None
M7B  A 502 (-3.7A)
M7B  A 502 (-3.1A)
 1.07A 3uboA-4e84A:
26.4		 3uboA-4e84A:
27.14
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.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 ILE A 103
GLY A 100
GLY A  63
SER A  64
GLY A  59
 None
None
None
CA  A 402 (-2.4A)
None
 0.99A 3uboA-4fcsA:
undetectable		 3uboA-4fcsA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		6 GLY A  33
GLY A  34
ASN A  38
GLU A  36
GLY A 267
ASP A 270
 GOL  A 401 ( 4.1A)
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
None
GOL  A 401 ( 4.5A)
GOL  A 401 (-3.0A)
 0.67A 3uboA-4gm6A:
30.1		 3uboA-4gm6A:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE ALPHA CHAIN

(Pseudomonas) 		PF01804
(Penicil_amidase) 		5 ASP A 192
GLY A 194
GLY A 195
ARG A 190
ASP A 197
 None
 0.96A 3uboA-4hstA:
undetectable		 3uboA-4hstA:
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 ILE A  82
GLY A  86
GLY A  87
THR A  80
GLY A  36
 None
 0.80A 3uboA-4kh3A:
undetectable		 3uboA-4kh3A:
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.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 143
GLY A 194
GLY A 196
GLY A 165
ASP A 168
 GOL  A 405 (-3.8A)
GOL  A 405 (-3.8A)
GOL  A 405 (-3.5A)
None
None
 0.98A 3uboA-4nd4A:
6.6		 3uboA-4nd4A:
20.05
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.50A 3uboA-4pvvA:
28.8		 3uboA-4pvvA:
25.48
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.
4qa8 PUTATIVE LIPOPROTEIN
LPRF

(Mycobacterium
bovis) 		PF07161
(LppX_LprAFG) 		5 ILE A 154
ASP A 151
GLY A 153
ASN A  98
GLY A 102
 None
 0.90A 3uboA-4qa8A:
undetectable		 3uboA-4qa8A:
19.73
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ILE A 285
GLY A 378
THR A 283
GLY A 354
ASP A 353
 None
None
None
None
CA  A2003 (-2.9A)
 0.97A 3uboA-4um8A:
undetectable		 3uboA-4um8A:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		7 ASP A  11
GLY A  29
GLY A  30
SER A  31
ASN A  34
GLY A 246
ASP A 249
 None
None
None
None
None
ANP  A 401 (-3.3A)
ANP  A 401 ( 4.3A)
 0.55A 3uboA-4wjmA:
31.1		 3uboA-4wjmA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  38
GLY A  39
ASN A  43
ASP A 252
 None
 0.52A 3uboA-4x8fA:
29.6		 3uboA-4x8fA:
27.22
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.49A 3uboA-5c41A:
32.3		 3uboA-5c41A:
27.42
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 GLY A  52
GLY A  53
ASN A  57
GLU A 154
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.99A 3uboA-5c41A:
32.3		 3uboA-5c41A:
27.42
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.
5ck7 ADP-DEPENDENT
GLUCOKINASE

(Mus musculus) 		PF04587
(ADP_PFK_GK) 		5 ASP A  84
GLY A 157
GLY A 158
GLY A 477
ASP A 480
 None
None
None
None
AMP  A 601 ( 4.9A)
 0.63A 3uboA-5ck7A:
19.4		 3uboA-5ck7A:
24.08
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		6 ASP A  30
GLY A  44
GLY A  45
ASN A  49
GLY A 263
ASP A 266
 None
 0.39A 3uboA-5ey7A:
33.5		 3uboA-5ey7A:
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.
5ijx TYROSINE--TRNA
LIGASE,
MITOCHONDRIAL

(Coccidioides
posadasii) 		PF00579
(tRNA-synt_1b) 		5 ASP A 118
GLY A 150
GLY A 151
SER A 152
ASN A 214
 TYR  A 501 (-2.9A)
TYR  A 501 ( 3.8A)
None
None
TYR  A 501 ( 4.4A)
 0.88A 3uboA-5ijxA:
2.4		 3uboA-5ijxA:
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.
5nfr MALATE DEHYDROGENASE

(Plasmodium
falciparum) 		no annotation 5 ASP A 122
GLY A 173
GLY A 175
GLY A 144
ASP A 147
 None
 0.90A 3uboA-5nfrA:
5.9		 3uboA-5nfrA:
13.07
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.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 6 ASP A  37
GLY A 114
GLY A 115
ARG A 200
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
8BR  A 501 (-3.2A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.63A 3uboA-5o0jA:
24.2		 3uboA-5o0jA:
12.94
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 6 ASP A  28
GLY A 106
GLY A 107
ARG A 197
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.61A 3uboA-5od2A:
22.7		 3uboA-5od2A:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 5 ASP A  36
GLY A 114
GLY A 115
GLY A 468
ASP A 471
 None
None
None
ADP  A 501 (-3.8A)
ADP  A 501 (-3.6A)
 0.76A 3uboA-6c8zA:
19.3		 3uboA-6c8zA:
13.74
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 6 ASP A  16
GLY A  41
GLY A  42
ASN A  46
GLY A 270
ASP A 273
 GOL  A 400 (-2.8A)
GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
None
None
 0.35A 3uboA-6cw5A:
29.8		 3uboA-6cw5A:
11.58
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 6 GLY A  41
GLY A  42
ASN A  46
GLU A 138
GLY A 270
ASP A 273
 GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
GOL  A 400 (-2.8A)
None
None
 0.90A 3uboA-6cw5A:
29.8		 3uboA-6cw5A:
11.58
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.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 5 ILE A  55
ASP A  51
GLY A  54
GLY A   0
ASP A   2
 None
None
None
CIT  A 502 (-3.1A)
None
 0.98A 3uboA-6enoA:
undetectable		 3uboA-6enoA:
15.82