SIMILAR PATTERNS OF AMINO ACIDS FOR 4E3A_B_ADNB500_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
ASN A  73
LEU A 142
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)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.86A 4e3aB-1dgmA:
36.2		 4e3aB-1dgmA:
27.96
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.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		9 ILE A  22
ASP A  24
GLY A  68
GLY A  69
ASN A  73
THR A 140
LEU A 142
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)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.74A 4e3aB-1dgmA:
36.2		 4e3aB-1dgmA:
27.96
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.
1di6 MOLYBDENUM COFACTOR
BIOSYNTHETIC ENZYME

(Escherichia
coli) 		PF00994
(MoCF_biosynth) 		6 ILE A  25
ASP A  22
GLY A  24
THR A  44
LEU A  42
GLY A  74
 None
None
None
None
None
SO4  A 201 (-3.5A)
 1.35A 4e3aB-1di6A:
undetectable		 4e3aB-1di6A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.28A 4e3aB-1rk2A:
35.3		 4e3aB-1rk2A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.80A 4e3aB-1rk2A:
35.3		 4e3aB-1rk2A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		7 ASP A  16
GLY A  30
GLY A  31
ASN A  35
THR A 248
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)
None
AIS  A 402 ( 4.5A)
AIS  A 402 (-3.0A)
 0.43A 4e3aB-1tz6A:
34.7		 4e3aB-1tz6A:
27.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		5 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.38A 4e3aB-1ua4A:
24.6		 4e3aB-1ua4A:
21.15
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		7 GLY A  33
GLY A  34
ASN A  38
LEU A 138
GLU A  36
GLY A 248
ASP A 251
 None
 1.02A 4e3aB-1v19A:
36.4		 4e3aB-1v19A:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.57A 4e3aB-1vm7A:
30.4		 4e3aB-1vm7A:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 GLY A  39
GLY A  40
ASN A  44
GLU A 137
THR A 242
ASP A 246
 None
 0.97A 4e3aB-1vm7A:
30.4		 4e3aB-1vm7A:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		6 ILE A  91
GLY A  95
GLY A  92
ASN A  97
GLY A  86
ASP A  85
 None
None
GOL  A1650 (-3.6A)
None
None
None
 1.42A 4e3aB-1w8oA:
undetectable		 4e3aB-1w8oA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		6 GLY A  34
ASN A  38
GLU A  36
THR A 252
GLY A 253
ASP A 256
 None
 0.86A 4e3aB-1wyeA:
37.1		 4e3aB-1wyeA:
23.51
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.
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
 1.01A 4e3aB-2abqA:
26.8		 4e3aB-2abqA:
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.
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
 0.41A 4e3aB-2abqA:
26.8		 4e3aB-2abqA:
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		7 GLY A  32
GLY A  33
ASN A  37
LEU A 139
GLU A  35
GLY A 277
ASP A 280
 None
 0.91A 4e3aB-2afbA:
33.4		 4e3aB-2afbA:
27.44
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.
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
 0.88A 4e3aB-2ajrA:
25.8		 4e3aB-2ajrA:
24.53
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.
2azp HYPOTHETICAL PROTEIN
PA1268

(Pseudomonas
aeruginosa) 		PF05544
(Pro_racemase) 		6 ILE A 288
GLY A  89
GLY A 237
LEU A 244
THR A  11
ASP A 232
 None
 1.49A 4e3aB-2azpA:
undetectable		 4e3aB-2azpA:
21.99
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		7 ASP A  17
GLY A  42
GLY A  43
ASN A  47
THR A 243
GLY A 244
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
ANP  A1304 (-4.3A)
None
ADN  A1301 (-2.9A)
 0.65A 4e3aB-2c49A:
32.8		 4e3aB-2c49A:
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.
2cff 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)
METHYLIDENEAMINO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Thermotoga
maritima) 		PF00977
(His_biosynth) 		6 ILE A 197
GLY A 195
GLY A 196
LEU A 231
GLU A 174
THR A 180
 None
 1.19A 4e3aB-2cffA:
undetectable		 4e3aB-2cffA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		6 GLY A 245
ASN A  80
THR A 290
LEU A 288
GLU A  83
THR A 183
 None
None
None
None
MPD  A   1 (-2.7A)
None
 1.48A 4e3aB-2d4wA:
undetectable		 4e3aB-2d4wA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		6 GLY A 241
ASN A  79
THR A 286
LEU A 284
GLU A  82
THR A 179
 None
 1.44A 4e3aB-2dpnA:
undetectable		 4e3aB-2dpnA:
22.05
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.
2e6k TRANSKETOLASE

(Thermus
thermophilus) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 ILE A 124
ASP A 161
GLY A 121
GLY A 123
LEU A 182
GLY A  69
 None
 1.23A 4e3aB-2e6kA:
undetectable		 4e3aB-2e6kA:
20.72
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 255
 None
None
None
None
None
ATP  A 411 (-4.1A)
 1.17A 4e3aB-2f02A:
26.5		 4e3aB-2f02A:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
THR A 291
GLY A 292
 None
 0.73A 4e3aB-2f02A:
26.5		 4e3aB-2f02A:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
ASN A  41
GLY A 252
ASP A 255
 None
None
None
ATP  A 411 (-3.6A)
ATP  A 411 (-4.1A)
 0.85A 4e3aB-2f02A:
26.5		 4e3aB-2f02A:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hjr MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 185
GLY A 186
LEU A 319
GLY A 157
ASP A 160
 None
 0.85A 4e3aB-2hjrA:
6.7		 4e3aB-2hjrA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		7 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.77A 4e3aB-2i6bA:
33.0		 4e3aB-2i6bA:
28.90
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.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		7 ASN A  14
ASP A  18
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 1.12A 4e3aB-2i6bA:
33.0		 4e3aB-2i6bA:
28.90
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  36
GLY A  37
ASN A  41
GLY A 246
 None
 1.12A 4e3aB-2jg5A:
26.1		 4e3aB-2jg5A:
21.90
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.
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
 0.71A 4e3aB-2jg5A:
26.1		 4e3aB-2jg5A:
21.90
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		6 ASP A  22
GLY A  43
GLY A  44
ASN A  48
GLY A 269
ASP A 272
 None
None
None
None
None
PGE  A 332 (-3.6A)
 0.46A 4e3aB-2qcvA:
35.3		 4e3aB-2qcvA:
25.14
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 GLY A  43
GLY A  44
ASN A  48
LEU A 123
ASP A 272
 None
None
None
None
PGE  A 332 (-3.6A)
 0.86A 4e3aB-2qcvA:
35.3		 4e3aB-2qcvA:
25.14
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.
2ts1 TYROSYL-TRNA
SYNTHETASE

(Geobacillus
stearothermophilus) 		PF00579
(tRNA-synt_1b) 		6 ILE A 220
GLY A 192
GLY A 191
THR A  54
LEU A   7
GLY A  36
 None
 1.18A 4e3aB-2ts1A:
2.6		 4e3aB-2ts1A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 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
ASN A  38
GLU A  36
THR A 254
GLY A 255
ASP A 258
 KDG  A1313 ( 3.3A)
KDF  A1314 ( 4.2A)
None
ANP  A1315 ( 4.6A)
ANP  A1315 (-3.0A)
KDF  A1314 (-2.8A)
 0.65A 4e3aB-2varA:
36.8		 4e3aB-2varA:
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		5 GLY A  34
ASN A  38
THR A 254
GLY A 255
ASP A 258
 KDG  A1313 ( 3.3A)
KDF  A1314 ( 4.2A)
ANP  A1315 ( 4.6A)
ANP  A1315 (-3.0A)
KDF  A1314 (-2.8A)
 0.84A 4e3aB-2varA:
36.8		 4e3aB-2varA:
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.
3aar ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE I

(Legionella
pneumophila) 		PF01150
(GDA1_CD39) 		5 ILE A 300
GLY A 298
GLY A 299
LEU A 321
GLY A 189
 None
ANP  A   1 ( 3.9A)
ANP  A   1 (-2.8A)
None
ANP  A   1 (-3.4A)
 0.81A 4e3aB-3aarA:
undetectable		 4e3aB-3aarA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		7 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 249
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)
None
AMP  A 501 (-3.4A)
AMP  A 501 (-2.8A)
 0.54A 4e3aB-3b1rA:
31.1		 4e3aB-3b1rA:
26.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 ASP A  15
GLY A  40
GLY A  41
GLU A 139
GLY A 255
 None
 0.81A 4e3aB-3b3lA:
27.2		 4e3aB-3b3lA:
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.
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
 0.42A 4e3aB-3b3lA:
27.2		 4e3aB-3b3lA:
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 GLY A  40
GLY A  41
ASN A  45
LEU A 112
GLY A 255
ASP A 258
 None
 1.30A 4e3aB-3b3lA:
27.2		 4e3aB-3b3lA:
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.
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 4e3aB-3bf5A:
23.5		 4e3aB-3bf5A:
25.39
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.
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
 0.39A 4e3aB-3ewmA:
33.3		 4e3aB-3ewmA:
25.39
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		6 GLY A  33
GLY A  34
ASN A  38
LEU A 103
GLY A 244
ASP A 247
 None
 1.13A 4e3aB-3ewmA:
33.3		 4e3aB-3ewmA:
25.39
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		6 GLY A  34
ASN A  38
LEU A 103
THR A 243
GLY A 244
ASP A 247
 None
 1.15A 4e3aB-3ewmA:
33.3		 4e3aB-3ewmA:
25.39
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		6 GLY A  34
ASN A  38
LEU A 167
THR A 243
GLY A 244
ASP A 247
 None
 1.20A 4e3aB-3ewmA:
33.3		 4e3aB-3ewmA:
25.39
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.
3fhl PUTATIVE
OXIDOREDUCTASE

(Bacteroides
fragilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		6 ASN A 311
GLY A 306
GLY A 307
ASN A 304
LEU A 322
GLY A 303
 None
 1.43A 4e3aB-3fhlA:
4.5		 4e3aB-3fhlA:
23.70
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.
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)
 0.39A 4e3aB-3go7A:
31.3		 4e3aB-3go7A:
26.95
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.
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)
 0.74A 4e3aB-3go7A:
31.3		 4e3aB-3go7A:
26.95
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 ASP A  33
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.42A 4e3aB-3hj6A:
29.0		 4e3aB-3hj6A:
27.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		7 ASN A 138
GLY A  37
GLY A  38
ASN A  42
THR A 228
GLY A 229
ASP A 232
 None
 1.09A 4e3aB-3i3yA:
26.8		 4e3aB-3i3yA:
24.53
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		7 ASP A  12
GLY A  37
GLY A  38
ASN A  42
THR A 107
THR A 228
GLY A 229
 None
 0.78A 4e3aB-3i3yA:
26.8		 4e3aB-3i3yA:
24.53
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		7 ASP A  12
GLY A  37
GLY A  38
ASN A  42
THR A 228
GLY A 229
ASP A 232
 None
 0.77A 4e3aB-3i3yA:
26.8		 4e3aB-3i3yA:
24.53
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		6 GLY A  38
ASN A  42
THR A  92
THR A 228
GLY A 229
ASP A 232
 None
 1.06A 4e3aB-3i3yA:
26.8		 4e3aB-3i3yA:
24.53
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.
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
 0.79A 4e3aB-3in1A:
31.9		 4e3aB-3in1A:
27.64
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  26
GLY A  27
THR A 233
GLY A 234
ASP A 237
 AMP  A 509 (-2.8A)
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
AMP  A 509 ( 4.8A)
AMP  A 509 (-3.3A)
AMP  A 509 ( 3.3A)
 0.88A 4e3aB-3kd6A:
29.3		 4e3aB-3kd6A:
22.91
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		6 ASP A  12
THR A  99
LEU A 101
THR A 233
GLY A 234
ASP A 237
 AMP  A 509 (-2.8A)
AMP  A 509 ( 4.4A)
None
AMP  A 509 ( 4.8A)
AMP  A 509 (-3.3A)
AMP  A 509 ( 3.3A)
 1.00A 4e3aB-3kd6A:
29.3		 4e3aB-3kd6A:
22.91
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		6 GLY A  27
THR A  99
LEU A 101
THR A 233
GLY A 234
ASP A 237
 AMP  A 509 (-3.4A)
AMP  A 509 ( 4.4A)
None
AMP  A 509 ( 4.8A)
AMP  A 509 (-3.3A)
AMP  A 509 ( 3.3A)
 1.21A 4e3aB-3kd6A:
29.3		 4e3aB-3kd6A:
22.91
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.
3kzh PROBABLE SUGAR
KINASE

(Clostridium
perfringens) 		PF00294
(PfkB) 		6 GLY A  42
GLY A  43
ASN A  47
THR A 253
GLY A 254
ASP A 257
 None
 0.60A 4e3aB-3kzhA:
28.9		 4e3aB-3kzhA:
24.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lhx KETODEOXYGLUCONOKINA
SE

(Shigella
flexneri) 		PF00294
(PfkB) 		5 GLY A 100
GLY A 101
ASN A 105
THR A 333
ASP A 337
 None
 0.57A 4e3aB-3lhxA:
30.3		 4e3aB-3lhxA:
24.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		8 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 137
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)
B4P  A 349 (-3.6A)
None
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
 0.38A 4e3aB-3looA:
39.6		 4e3aB-3looA:
30.91
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 ILE A 122
ASP A 159
GLY A 119
GLY A 121
LEU A 180
GLY A  67
 None
 1.13A 4e3aB-3m49A:
undetectable		 4e3aB-3m49A:
22.56
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.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		7 ASN A  13
ASP A  17
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.43A 4e3aB-3otxA:
39.6		 4e3aB-3otxA:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		6 ASP A  19
GLY A  40
GLY A  41
ASN A  45
GLY A 261
ASP A 264
 None
 0.40A 4e3aB-3pl2A:
35.1		 4e3aB-3pl2A:
24.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 4e3aB-3q1yA:
27.2		 4e3aB-3q1yA:
25.85
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.55A 4e3aB-3ry7A:
28.2		 4e3aB-3ry7A:
25.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		12 ASN A  11
ILE A  13
ASP A  15
GLY A  58
GLY A  59
ASN A  63
THR A 129
LEU A 131
GLU A 156
THR A 274
GLY A 275
ASP A 278
 ADN  A 353 (-3.7A)
ADN  A 353 (-3.7A)
ADN  A 353 (-2.8A)
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
None
ADN  A 353 (-3.2A)
ADN  A 353 ( 4.8A)
ADN  A 353 (-3.7A)
ADN  A 353 (-3.3A)
 0.23A 4e3aB-3uboA:
56.6		 4e3aB-3uboA:
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 GLY A  38
GLY A  39
ASN A  43
GLY A 253
ASP A 256
 None
None
None
ATP  A 401 ( 4.1A)
None
 0.80A 4e3aB-3uqeA:
26.9		 4e3aB-3uqeA:
23.64
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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		9 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
THR A 136
LEU A 138
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 (-4.9A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 0.44A 4e3aB-3vasA:
40.5		 4e3aB-3vasA:
28.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		6 ASP A  18
ASN A  68
THR A 136
LEU A  40
GLY A 299
ASP A 302
 ADN  A 401 (-2.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.1A)
None
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 1.34A 4e3aB-3vasA:
40.5		 4e3aB-3vasA:
28.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		6 GLY A  64
ASN A  68
THR A 136
LEU A  40
GLY A 299
ASP A 302
 ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.1A)
None
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 1.45A 4e3aB-3vasA:
40.5		 4e3aB-3vasA:
28.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vi3 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		6 GLY A 390
GLY A 389
THR A 292
LEU A 303
GLY A 365
ASP A 364
 None
None
None
None
None
CA  A2003 (-2.8A)
 1.43A 4e3aB-3vi3A:
undetectable		 4e3aB-3vi3A:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		5 ASP A  42
GLY A 119
GLY A 120
GLY A 448
ASP A 451
 GLC  A 468 (-2.7A)
GLC  A 468 (-3.5A)
GLC  A 468 (-3.6A)
GLC  A 468 ( 4.0A)
GLC  A 468 (-2.9A)
 0.39A 4e3aB-4b8sA:
23.6		 4e3aB-4b8sA:
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 ILE A 123
ASP A 160
GLY A 120
GLY A 122
LEU A 181
GLY A  68
 None
 1.14A 4e3aB-4c7vA:
undetectable		 4e3aB-4c7vA:
20.46
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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		5 ASP A  29
GLY A  58
GLY A  59
GLY A 267
ASP A 270
 M7B  A 502 (-2.9A)
M7B  A 502 (-3.4A)
M7B  A 502 (-3.6A)
M7B  A 502 (-3.7A)
M7B  A 502 (-3.1A)
 0.68A 4e3aB-4e84A:
27.1		 4e3aB-4e84A:
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		7 GLY A  33
GLY A  34
ASN A  38
LEU A 140
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
None
GOL  A 401 ( 4.5A)
GOL  A 401 (-3.0A)
 0.92A 4e3aB-4gm6A:
31.5		 4e3aB-4gm6A:
28.57
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 ILE A  82
GLY A  86
GLY A  87
THR A  80
GLY A  36
 None
 0.77A 4e3aB-4kh3A:
undetectable		 4e3aB-4kh3A:
22.78
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.
4mow GLUCOSE
1-DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLY A  63
GLY A  62
THR A  77
THR A  12
GLY A  13
 None
 0.75A 4e3aB-4mowA:
7.1		 4e3aB-4mowA:
25.14
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		7 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
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 (-4.4A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.50A 4e3aB-4pvvA:
29.4		 4e3aB-4pvvA:
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		6 ASP A  11
GLY A  29
GLY A  30
ASN A  34
GLY A 246
ASP A 249
 None
None
None
None
ANP  A 401 (-3.3A)
ANP  A 401 ( 4.3A)
 0.57A 4e3aB-4wjmA:
31.2		 4e3aB-4wjmA:
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		6 ASP A  11
GLY A  29
GLY A  30
ASN A  34
LEU A 162
ASP A 249
 None
None
None
None
None
ANP  A 401 ( 4.3A)
 1.27A 4e3aB-4wjmA:
31.2		 4e3aB-4wjmA:
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.
4wk4 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP) 		6 GLY A 390
GLY A 389
THR A 292
LEU A 303
GLY A 365
ASP A 364
 None
None
None
None
None
CA  A 503 (-2.8A)
 1.46A 4e3aB-4wk4A:
undetectable		 4e3aB-4wk4A:
19.65
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.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		6 ASP A  13
GLY A  38
GLY A  39
ASN A  43
THR A 248
ASP A 252
 None
 0.74A 4e3aB-4x8fA:
30.1		 4e3aB-4x8fA:
27.01
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.
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis) 		no annotation 6 ASP A  12
GLY A  25
GLY A  26
THR A 215
GLY A 216
ASP A 219
 INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
ACP  A 302 (-3.9A)
INS  A 301 (-2.7A)
 0.71A 4e3aB-4xf7A:
24.4		 4e3aB-4xf7A:
23.56
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.
4y6o NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		6 ILE A  87
GLY A 261
GLY A  86
THR A 146
LEU A 172
GLY A 322
 None
 1.37A 4e3aB-4y6oA:
4.7		 4e3aB-4y6oA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		7 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLU A 154
GLY A 266
ASP A 269
 None
None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 1.04A 4e3aB-5c41A:
33.2		 4e3aB-5c41A:
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		7 GLY A  52
GLY A  53
ASN A  57
GLU A 154
THR A 265
GLY A 266
ASP A 269
 None
None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 1.02A 4e3aB-5c41A:
33.2		 4e3aB-5c41A:
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		7 ASP A  30
GLY A  44
GLY A  45
ASN A  49
THR A 262
GLY A 263
ASP A 266
 None
None
None
None
NA  A 401 (-4.9A)
None
None
 0.45A 4e3aB-5ey7A:
34.6		 4e3aB-5ey7A:
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.
5fyq NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		6 ILE A  87
GLY A 261
GLY A  86
THR A 146
LEU A 172
GLY A 322
 None
 1.38A 4e3aB-5fyqA:
undetectable		 4e3aB-5fyqA:
22.44
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.
5jbw 3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Myxococcus
xanthus) 		PF00378
(ECH_1) 		5 ILE A  17
GLY A  54
ASN A 103
LEU A  34
GLY A 104
 None
 0.85A 4e3aB-5jbwA:
undetectable		 4e3aB-5jbwA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		5 ILE N 309
GLY N 710
GLY N 709
THR N 343
GLY N 342
 None
 0.56A 4e3aB-5mpdN:
undetectable		 4e3aB-5mpdN:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 5 ASP A  37
GLY A 114
GLY A 115
GLY A 440
ASP A 443
 GLC  A 503 (-2.7A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.7A)
GLC  A 503 ( 4.1A)
GLC  A 503 (-2.6A)
 0.39A 4e3aB-5o0jA:
24.5		 4e3aB-5o0jA:
11.90
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ASP A  28
GLY A 106
GLY A 107
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.40A 4e3aB-5od2A:
22.7		 4e3aB-5od2A:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 6 ASP A  11
GLY A  25
GLY A  26
THR A 230
GLY A 231
ASP A 234
 INS  A 301 (-2.7A)
INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
INS  A 301 (-4.7A)
INS  A 301 ( 4.7A)
INS  A 301 ( 4.9A)
 1.08A 4e3aB-5ysqA:
27.8		 4e3aB-5ysqA:
12.68
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 6 GLY A  25
GLY A  26
LEU A  91
THR A 230
GLY A 231
ASP A 234
 INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
None
INS  A 301 (-4.7A)
INS  A 301 ( 4.7A)
INS  A 301 ( 4.9A)
 1.23A 4e3aB-5ysqA:
27.8		 4e3aB-5ysqA:
12.68
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 7 ASP A  16
GLY A  41
GLY A  42
ASN A  46
THR A 269
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)
GOL  A 400 ( 4.9A)
None
None
 0.33A 4e3aB-6cw5A:
30.4		 4e3aB-6cw5A:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 4e3aB-6cw5A:
30.4		 4e3aB-6cw5A:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 6 ILE A  55
ASP A  51
GLY A  54
ASN A   3
GLY A   0
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
CIT  A 502 (-3.1A)
None
 1.10A 4e3aB-6enoA:
undetectable		 4e3aB-6enoA:
14.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g0c UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA

(Legionella
pneumophila) 		no annotation 5 ILE A 779
ASP A 780
GLY A 777
LEU A 880
GLU A 772
 None
 0.86A 4e3aB-6g0cA:
undetectable		 4e3aB-6g0cA:
13.72