SIMILAR PATTERNS OF AMINO ACIDS FOR 2PKK_A_2FAA501_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) 		6 ASP A  24
GLY A  68
GLY A  69
ASN A  73
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.70A 2pkkA-1dgmA:
27.4		 2pkkA-1dgmA:
25.75
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A 107
GLY A  33
GLY A 106
GLN A  83
GLY A  57
 FAD  A 600 (-3.4A)
FAD  A 600 (-3.1A)
FAD  A 600 (-3.0A)
FAD  A 600 (-3.7A)
None
 1.03A 2pkkA-1gpeA:
3.7		 2pkkA-1gpeA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 SER A 107
GLY A 105
GLY A 106
ALA A 100
GLN A  83
GLY A  57
 FAD  A 600 (-3.4A)
None
FAD  A 600 (-3.0A)
None
FAD  A 600 (-3.7A)
None
 1.10A 2pkkA-1gpeA:
3.7		 2pkkA-1gpeA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gu3 ENDOGLUCANASE C

(Cellulomonas
fimi) 		PF02018
(CBM_4_9) 		5 GLY A  20
ALA A 126
GLN A 128
GLN A 124
GLY A 130
 None
BGC  A 602 ( 4.5A)
BGC  A 601 (-3.6A)
BGC  A 602 ( 2.8A)
None
 0.83A 2pkkA-1gu3A:
undetectable		 2pkkA-1gu3A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 GLY A 233
GLY A 235
ASN A 204
ALA A 237
GLY A 172
 None
 1.00A 2pkkA-1nvmA:
2.6		 2pkkA-1nvmA:
26.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q9h CELLOBIOHYDROLASE I
CATALYTIC DOMAIN

(Rasamsonia
emersonii) 		PF00840
(Glyco_hydro_7) 		5 SER A 319
GLY A 266
PHE A 260
GLN A 337
GLY A 395
 None
 1.04A 2pkkA-1q9hA:
undetectable		 2pkkA-1q9hA:
20.22
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  16
GLY A  41
ASN A  46
ALA A 168
ASP A 255
 RIB  A 311 (-2.8A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.3A)
None
RIB  A 311 (-3.1A)
 1.04A 2pkkA-1rk2A:
34.8		 2pkkA-1rk2A:
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		6 SER A  12
ASP A  16
GLY A  41
GLY A  42
ASN A  46
ASP A 255
 None
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)
 0.51A 2pkkA-1rk2A:
34.8		 2pkkA-1rk2A:
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER B 184
GLY B 186
GLY B 185
ALA B 171
GLY B 163
 None
 1.03A 2pkkA-1tqyB:
undetectable		 2pkkA-1tqyB:
24.83
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.
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)
 0.34A 2pkkA-1tz6A:
29.9		 2pkkA-1tz6A:
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.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		5 ASP A  34
GLY A 111
ALA A 268
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
BGC  A2457 ( 4.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.95A 2pkkA-1ua4A:
19.2		 2pkkA-1ua4A:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.37A 2pkkA-1ua4A:
19.2		 2pkkA-1ua4A:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		5 GLY A  33
GLY A  34
ASN A  38
GLY A 248
ASP A 251
 None
 0.26A 2pkkA-1v19A:
29.8		 2pkkA-1v19A:
27.12
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 SER A  10
ASP A  14
GLY A  39
GLY A  40
ASN A  44
ASP A 246
 None
 0.71A 2pkkA-1vm7A:
30.2		 2pkkA-1vm7A:
27.30
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.
1ydo HMG-COA LYASE

(Bacillus
subtilis) 		PF00682
(HMGL-like) 		5 GLY A 236
GLY A 235
ALA A 276
GLN A  36
GLY A 232
 None
 1.03A 2pkkA-1ydoA:
2.3		 2pkkA-1ydoA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ALA A 132
GLY A 246
 None
 1.21A 2pkkA-2abqA:
25.4		 2pkkA-2abqA:
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.
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
 0.42A 2pkkA-2abqA:
25.4		 2pkkA-2abqA:
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 GLY A  32
GLY A  33
ASN A  37
GLY A 277
ASP A 280
 None
 0.40A 2pkkA-2afbA:
27.0		 2pkkA-2afbA:
23.66
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  39
GLY A  40
ASN A  44
GLY A 258
ASP A 261
 ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
None
 0.50A 2pkkA-2ajrA:
23.8		 2pkkA-2ajrA:
24.25
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 GLY A  39
GLY A  40
ASN A  44
GLN A 171
GLY A 258
 ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
None
 1.01A 2pkkA-2ajrA:
23.8		 2pkkA-2ajrA:
24.25
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.
2b2c SPERMIDINE SYNTHASE

(Caenorhabditis
elegans) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 120
GLY A 121
ALA A  99
GLY A 116
ASP A 188
 None
 0.97A 2pkkA-2b2cA:
2.4		 2pkkA-2b2cA:
24.00
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  42
GLY A  43
ALA A 137
GLY A 244
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
None
None
 1.03A 2pkkA-2c49A:
39.4		 2pkkA-2c49A:
27.78
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		7 ASP A  17
GLY A  42
GLY A  43
ASN A  47
PHE A 113
GLN A 163
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.5A)
ADN  A1301 (-3.2A)
ADN  A1301 (-2.9A)
 0.77A 2pkkA-2c49A:
39.4		 2pkkA-2c49A:
27.78
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		7 ASP A  17
GLY A  42
GLY A  43
ASN A  47
PHE A 113
GLY A 244
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.5A)
None
ADN  A1301 (-2.9A)
 0.55A 2pkkA-2c49A:
39.4		 2pkkA-2c49A:
27.78
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.
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY C 341
GLY C 340
ASN C 337
PHE C 189
GLN C 366
 None
 1.05A 2pkkA-2d3tC:
undetectable		 2pkkA-2d3tC:
20.70
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 255
 None
None
None
None
ATP  A 411 (-4.1A)
 0.74A 2pkkA-2f02A:
24.4		 2pkkA-2f02A:
24.64
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.
2fr1 ERYTHROMYCIN
SYNTHASE, ERYAI

(Saccharopolyspora
erythraea) 		PF08659
(KR) 		5 SER A1630
GLY A1632
GLY A1631
ALA A1626
GLY A1463
 None
 0.92A 2pkkA-2fr1A:
4.7		 2pkkA-2fr1A:
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.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 None
None
89I  A 500 (-3.5A)
None
None
 0.39A 2pkkA-2i6bA:
23.7		 2pkkA-2i6bA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 GLY A  63
GLY A  64
ASN A  68
ALA A 168
ASP A 300
 None
89I  A 500 (-3.5A)
None
None
None
 0.98A 2pkkA-2i6bA:
23.7		 2pkkA-2i6bA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.75A 2pkkA-2jg5A:
24.3		 2pkkA-2jg5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 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 GLY A  36
GLY A  37
ASN A  41
ALA A 132
GLY A 246
ASP A 249
 None
 1.07A 2pkkA-2jg5A:
24.3		 2pkkA-2jg5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.97A 2pkkA-2nwhA:
23.8		 2pkkA-2nwhA:
26.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.47A 2pkkA-2qcvA:
31.7		 2pkkA-2qcvA:
23.78
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.
2qhp FRUCTOKINASE

(Bacteroides
thetaiotaomicron) 		PF00294
(PfkB) 		5 GLY A  23
GLY A  24
ASN A  28
GLY A 243
ASP A 246
 None
 0.75A 2pkkA-2qhpA:
26.8		 2pkkA-2qhpA:
21.71
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.
2x0i MALATE DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 288
GLY A 193
ASN A 165
GLY A 164
ASP A 168
 None
None
None
NAI  A1000 ( 4.1A)
None
 1.01A 2pkkA-2x0iA:
6.1		 2pkkA-2x0iA:
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.
2yib RNA-DIRECTED RNA
POLYMERASE

(Infectious
pancreatic
necrosis virus) 		PF04197
(Birna_RdRp) 		6 SER D 660
GLY D 664
GLY D 663
ASN D 657
ALA D 615
GLY D 668
 None
 1.45A 2pkkA-2yibD:
undetectable		 2pkkA-2yibD:
17.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		9 SER A   8
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 117
MET A 122
GLY A 250
ASP A 253
 AMP  A 501 (-2.8A)
AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.5A)
AMP  A 501 (-3.6A)
AMP  A 501 (-3.4A)
AMP  A 501 (-2.8A)
 0.49A 2pkkA-3b1rA:
41.3		 2pkkA-3b1rA:
36.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		7 SER A   8
ASP A  12
GLY A  47
GLY A  48
PHE A 117
MET A 122
GLN A 169
 AMP  A 501 (-2.8A)
AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.5A)
AMP  A 501 (-3.6A)
AMP  A 501 (-3.4A)
 0.90A 2pkkA-3b1rA:
41.3		 2pkkA-3b1rA:
36.05
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 GLY A  40
GLY A  41
ASN A  45
GLY A 255
ASP A 258
 None
 0.33A 2pkkA-3b3lA:
26.4		 2pkkA-3b3lA:
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.
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
 0.44A 2pkkA-3bf5A:
27.8		 2pkkA-3bf5A:
25.22
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.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 143
GLY A 288
GLY A 193
ASN A 165
ASP A 168
 None
 1.04A 2pkkA-3czmA:
6.6		 2pkkA-3czmA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.31A 2pkkA-3ewmA:
29.2		 2pkkA-3ewmA:
26.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 577
ASN A 574
ALA A 503
GLN A 504
GLN A 335
 None
 1.01A 2pkkA-3fahA:
undetectable		 2pkkA-3fahA:
17.60
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		7 SER A  21
ASP A  25
GLY A  50
GLY A  51
ASN A  55
GLY A 239
ASP A 242
 RIB  A 305 ( 4.7A)
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)
 0.55A 2pkkA-3go7A:
31.0		 2pkkA-3go7A:
26.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 ASP A  33
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.44A 2pkkA-3hj6A:
25.3		 2pkkA-3hj6A:
24.52
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.83A 2pkkA-3i3yA:
26.2		 2pkkA-3i3yA:
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  15
GLY A  41
GLY A  42
ASN A  46
ASP A 260
 None
 0.74A 2pkkA-3in1A:
29.3		 2pkkA-3in1A:
25.88
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		5 GLY A  41
GLY A  42
ASN A  46
GLY A 257
ASP A 260
 None
None
None
NA  A 411 ( 4.9A)
None
 0.34A 2pkkA-3in1A:
29.3		 2pkkA-3in1A:
25.88
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.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		5 ASP A 146
GLY A 201
ALA A 101
GLY A 153
ASP A 121
 None
None
LEU  A 500 (-4.0A)
None
None
 1.01A 2pkkA-3ipcA:
undetectable		 2pkkA-3ipcA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		7 SER A   8
ASP A  12
GLY A  26
GLY A  27
PHE A  81
GLY A 234
ASP A 237
 AMP  A 509 (-2.7A)
AMP  A 509 (-2.8A)
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
AMP  A 509 (-4.7A)
AMP  A 509 (-3.3A)
AMP  A 509 ( 3.3A)
 1.28A 2pkkA-3kd6A:
31.3		 2pkkA-3kd6A:
24.59
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.
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
 0.50A 2pkkA-3kzhA:
25.8		 2pkkA-3kzhA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		6 ASP A  18
GLY A  63
GLY A  64
ASN A  68
GLY A 297
ASP A 300
 B4P  A 349 (-2.8A)
B4P  A 349 ( 3.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
 0.26A 2pkkA-3looA:
28.6		 2pkkA-3looA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		6 GLY A 163
ALA A 181
GLN A  28
GLN A 300
GLY A  29
ASP A 309
 None
 1.47A 2pkkA-3o8lA:
3.9		 2pkkA-3o8lA:
18.30
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.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  62
GLY A  63
ASN A  67
ASP A 299
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.14A 2pkkA-3otxA:
27.8		 2pkkA-3otxA:
24.16
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.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		5 ASP A 299
PHE A 169
ALA A 136
GLY A  62
ASP A  17
 AP5  A 346 ( 3.2A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.6A)
AP5  A 346 (-2.8A)
 1.01A 2pkkA-3otxA:
27.8		 2pkkA-3otxA:
24.16
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.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A  50
GLY A  51
MET A 135
ALA A 397
GLY A 117
 FAD  A 601 (-3.3A)
FAD  A 601 (-4.5A)
None
None
None
 0.95A 2pkkA-3p4sA:
3.6		 2pkkA-3p4sA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.43A 2pkkA-3pl2A:
29.3		 2pkkA-3pl2A:
26.43
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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		6 SER A  10
ASP A  14
GLY A  40
GLY A  41
ASN A  45
ASP A 254
 None
GOL  A 401 (-3.1A)
GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
None
 0.58A 2pkkA-3ry7A:
26.2		 2pkkA-3ry7A:
24.72
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.
3s4y THIAMIN
PYROPHOSPHOKINASE 1

(Homo sapiens) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 GLY A 126
GLY A 127
ALA A 137
GLN A 134
GLY A 130
 None
None
None
TPP  A1301 ( 3.6A)
UNX  A 249 ( 3.5A)
 0.99A 2pkkA-3s4yA:
undetectable		 2pkkA-3s4yA:
21.66
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		6 ASP A  15
GLY A  58
GLY A  59
ASN A  63
GLY A 275
ASP A 278
 ADN  A 353 (-2.8A)
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.7A)
ADN  A 353 (-3.3A)
 0.31A 2pkkA-3uboA:
31.5		 2pkkA-3uboA:
24.86
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.
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 2pkkA-3uqeA:
24.3		 2pkkA-3uqeA:
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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		6 ASP A  18
GLY A  63
GLY A  64
ASN A  68
GLY A 299
ASP A 302
 ADN  A 401 (-2.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 0.37A 2pkkA-3vasA:
29.1		 2pkkA-3vasA:
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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		6 GLY A  63
GLY A  64
ASN A  68
ALA A 167
GLY A 299
ASP A 302
 ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
CL  A 402 ( 4.2A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 0.81A 2pkkA-3vasA:
29.1		 2pkkA-3vasA:
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 GLY A 498
GLY A 503
ALA A 222
GLY A 559
ASP A 501
 None
PGE  A1684 ( 3.9A)
PGE  A1684 ( 4.5A)
None
None
 0.96A 2pkkA-3zukA:
undetectable		 2pkkA-3zukA:
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.
4a27 SYNAPTIC VESICLE
MEMBRANE PROTEIN
VAT-1 HOMOLOG-LIKE

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 GLY A 373
ASN A 374
PHE A 216
GLY A 376
ASP A 354
 None
EDO  A1390 (-3.8A)
None
None
None
 0.91A 2pkkA-4a27A:
undetectable		 2pkkA-4a27A:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.36A 2pkkA-4b8sA:
17.9		 2pkkA-4b8sA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b98 BETA-ALANINE--PYRUVA
TE TRANSAMINASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		5 GLY A  64
GLY A  66
ASN A 292
ALA A  40
GLY A 293
 None
 1.05A 2pkkA-4b98A:
3.0		 2pkkA-4b98A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 ASP A 840
GLY A 974
GLY A 975
ALA A 980
GLY A 944
 ZN  A2034 (-2.0A)
KEE  A2033 (-3.6A)
KEE  A2033 ( 4.9A)
None
None
 1.05A 2pkkA-4cbyA:
2.1		 2pkkA-4cbyA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		6 ASP A  13
GLY A  56
GLY A  57
ASN A  61
GLY A 273
ASP A 276
 ADN  A 500 (-2.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 0.30A 2pkkA-4e3aA:
32.2		 2pkkA-4e3aA:
27.57
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.
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)
 0.81A 2pkkA-4e84A:
24.8		 2pkkA-4e84A:
24.47
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) 		5 GLY A  33
GLY A  34
ASN A  38
GLY A 267
ASP A 270
 GOL  A 401 ( 4.1A)
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
GOL  A 401 ( 4.5A)
GOL  A 401 (-3.0A)
 0.30A 2pkkA-4gm6A:
25.9		 2pkkA-4gm6A:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A  30
GLY A  24
GLY A  25
ALA A 212
GLY A  50
 None
FAD  A 601 (-3.2A)
FAD  A 601 ( 4.6A)
CME  A 102 ( 3.8A)
None
 0.69A 2pkkA-4ha6A:
2.9		 2pkkA-4ha6A:
22.96
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		5 SER A 529
ASP A 699
GLY A 700
ASN A 723
GLY A 590
 CME  A 974 ( 3.8A)
None
None
None
None
 0.86A 2pkkA-4lglA:
2.6		 2pkkA-4lglA:
16.61
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.
4m00 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		5 GLY A 328
GLY A 329
ASN A 480
ALA A 473
GLY A 319
 None
 1.05A 2pkkA-4m00A:
undetectable		 2pkkA-4m00A:
20.65
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.
4m01 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		no annotation 5 GLY A 328
GLY A 329
ASN A 480
ALA A 473
GLY A 319
 None
 1.05A 2pkkA-4m01A:
undetectable		 2pkkA-4m01A:
22.74
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		5 GLY A 304
ASN A  23
ALA A  30
GLN A  33
GLY A  22
 None
 1.05A 2pkkA-4mptA:
3.6		 2pkkA-4mptA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ng4 PHOSPHOGLYCERATE
KINASE

(Coxiella
burnetii) 		PF00162
(PGK) 		5 SER A 299
GLY A 295
ALA A 332
GLN A 328
ASP A 293
 None
None
None
None
MG  A 401 (-2.9A)
 0.95A 2pkkA-4ng4A:
4.5		 2pkkA-4ng4A:
22.66
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 ASP A1965
GLY A1967
GLY A1968
GLN A2154
GLY A1985
 None
 0.91A 2pkkA-4o9xA:
undetectable		 2pkkA-4o9xA:
10.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		10 SER A   8
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 116
MET A 121
ALA A 146
GLY A 254
ASP A 257
 HO4  A 401 (-2.8A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.6A)
HO4  A 401 ( 3.9A)
HO4  A 401 (-4.3A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.60A 2pkkA-4pvvA:
47.9		 2pkkA-4pvvA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		8 SER A   8
ASP A  12
GLY A  47
GLY A  48
PHE A 116
ALA A 146
GLN A 172
ASP A 257
 HO4  A 401 (-2.8A)
HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.6A)
HO4  A 401 (-4.3A)
HO4  A 401 (-3.7A)
HO4  A 401 (-3.3A)
 0.91A 2pkkA-4pvvA:
47.9		 2pkkA-4pvvA:
99.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rw3 PHOSPHOLIPASE D
LISICTOX-ALPHAIA1BII

(Loxosceles
intermedia) 		no annotation 5 GLY A 193
ASN A 169
ALA A 208
GLN A 190
GLY A 168
 None
 0.87A 2pkkA-4rw3A:
undetectable		 2pkkA-4rw3A:
22.28
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A  18
GLY A  12
GLY A  13
ALA A 211
GLY A  38
 None
FAD  A 700 (-3.2A)
FAD  A 700 ( 4.8A)
None
None
 0.73A 2pkkA-4udrA:
3.2		 2pkkA-4udrA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uoo LIPOTEICHOIC ACID
SYNTHASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		5 GLY A 583
GLY A 582
ALA A 507
GLN A 508
GLY A 571
 None
 0.93A 2pkkA-4uooA:
undetectable		 2pkkA-4uooA:
21.79
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.
4uzj NOTUM

(Drosophila
melanogaster) 		PF03283
(PAE) 		5 SER A 268
GLY A 242
GLY A 240
GLN A 334
GLY A 125
 None
 0.94A 2pkkA-4uzjA:
undetectable		 2pkkA-4uzjA:
20.26
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.
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)
 0.62A 2pkkA-4wjmA:
28.0		 2pkkA-4wjmA:
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.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  38
GLY A  39
ASN A  43
ASP A 252
 None
 0.56A 2pkkA-4x8fA:
29.2		 2pkkA-4x8fA:
27.73
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.
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis) 		no annotation 5 ASP A  12
GLY A  25
GLY A  26
GLY A 216
ASP A 219
 INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
ACP  A 302 (-3.9A)
INS  A 301 (-2.7A)
 0.70A 2pkkA-4xf7A:
26.9		 2pkkA-4xf7A:
23.53
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.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus) 		PF00840
(Glyco_hydro_7) 		5 SER A 319
GLY A 269
PHE A 263
GLN A 337
GLY A 396
 None
 0.92A 2pkkA-5ampA:
undetectable		 2pkkA-5ampA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.55A 2pkkA-5c41A:
30.8		 2pkkA-5c41A:
27.91
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 SER A  23
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)
 0.56A 2pkkA-5c41A:
30.8		 2pkkA-5c41A:
27.91
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.
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)
 0.72A 2pkkA-5ck7A:
14.2		 2pkkA-5ck7A:
20.96
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.
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
 0.41A 2pkkA-5ey7A:
30.2		 2pkkA-5ey7A:
26.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A  19
GLY A  13
GLY A  14
ALA A 205
GLY A  40
 None
FAD  A 702 (-3.6A)
FAD  A 702 (-3.9A)
None
None
 0.91A 2pkkA-5i68A:
undetectable		 2pkkA-5i68A:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		5 GLY A 159
GLY A 128
ASN A 146
ALA A  97
GLY A 145
 None
 1.01A 2pkkA-5jseA:
undetectable		 2pkkA-5jseA:
19.83
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.
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)
 0.34A 2pkkA-5o0jA:
19.3		 2pkkA-5o0jA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ASP A  28
GLY A 106
ALA A 274
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 ( 4.3A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 1.02A 2pkkA-5od2A:
17.1		 2pkkA-5od2A:
12.12
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.
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)
 0.36A 2pkkA-5od2A:
17.1		 2pkkA-5od2A:
12.12
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.
5tsq IUNH

(Leishmania
braziliensis) 		PF01156
(IU_nuc_hydro) 		6 ASP A  14
GLY A  12
ALA A  78
GLN A  80
GLY A 127
ASP A  10
 BDR  A 402 (-2.8A)
BDR  A 402 ( 4.9A)
None
None
CA  A 401 ( 4.2A)
CA  A 401 (-3.1A)
 1.40A 2pkkA-5tsqA:
undetectable		 2pkkA-5tsqA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 7 SER A  12
ASP A  16
GLY A  41
GLY A  42
ASN A  46
GLY A 270
ASP A 273
 None
GOL  A 400 (-2.8A)
GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
None
None
 0.50A 2pkkA-6cw5A:
32.2		 2pkkA-6cw5A:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 5 ASP A  51
GLY A  54
ASN A   3
GLY A   0
ASP A   2
 None
None
CIT  A 502 (-3.8A)
CIT  A 502 (-3.1A)
None
 1.03A 2pkkA-6enoA:
3.0		 2pkkA-6enoA:
12.61