SIMILAR PATTERNS OF AMINO ACIDS FOR 2PKM_A_ADNA501_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)
 0.69A 2pkmA-1dgmA:
27.2		 2pkmA-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) 		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 2pkmA-1gpeA:
4.1		 2pkmA-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 2pkmA-1gu3A:
undetectable		 2pkmA-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.
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)
 0.52A 2pkmA-1rk2A:
34.6		 2pkmA-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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 ALA A  79
GLY A  77
GLY A  78
PHE A 256
ASP A 190
 None
AHZ  A 600 (-3.2A)
AHZ  A 600 (-3.6A)
None
ZN  A 500 ( 2.5A)
 0.92A 2pkmA-1rp0A:
4.9		 2pkmA-1rp0A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 ALA A  79
GLY A  77
GLY A  78
PHE A 256
GLY A 188
 None
AHZ  A 600 (-3.2A)
AHZ  A 600 (-3.6A)
None
AHZ  A 600 (-3.3A)
 0.88A 2pkmA-1rp0A:
4.9		 2pkmA-1rp0A:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.33A 2pkmA-1tz6A:
29.7		 2pkmA-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
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 2pkmA-1ua4A:
19.0		 2pkmA-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 2pkmA-1v19A:
29.7		 2pkmA-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
 0.72A 2pkmA-1vm7A:
30.1		 2pkmA-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.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ALA A 140
GLY A 138
GLY A 136
ALA A  48
GLY A  99
 None
None
GTP  A 500 (-3.9A)
GTP  A 500 (-3.4A)
GTP  A 500 (-3.3A)
 0.82A 2pkmA-1w5eA:
6.3		 2pkmA-1w5eA:
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.
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
 1.23A 2pkmA-2abqA:
25.3		 2pkmA-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
 0.40A 2pkmA-2abqA:
25.3		 2pkmA-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 2pkmA-2afbA:
26.8		 2pkmA-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) 		7 ALA A  10
ASP A  12
GLY A  39
GLY A  40
ASN A  44
GLY A 258
ASP A 261
 ACT  A 321 ( 4.4A)
ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
None
 0.57A 2pkmA-2ajrA:
23.6		 2pkmA-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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		6 ALA A  15
ASP A  17
GLY A  42
GLY A  43
ALA A 137
GLY A 244
 ADN  A1301 (-3.6A)
ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
None
None
 0.99A 2pkmA-2c49A:
39.0		 2pkmA-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) 		8 ALA A  15
ASP A  17
GLY A  42
GLY A  43
ASN A  47
PHE A 113
GLN A 163
ASP A 247
 ADN  A1301 (-3.6A)
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)
 0.71A 2pkmA-2c49A:
39.0		 2pkmA-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) 		8 ALA A  15
ASP A  17
GLY A  42
GLY A  43
ASN A  47
PHE A 113
GLY A 244
ASP A 247
 ADN  A1301 (-3.6A)
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)
 0.53A 2pkmA-2c49A:
39.0		 2pkmA-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.
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 2pkmA-2f02A:
24.2		 2pkmA-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.
2ffh PROTEIN (FFH)

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		5 ALA A 255
ASP A 250
GLY A 253
GLY A 254
GLN A 330
 None
 0.93A 2pkmA-2ffhA:
3.1		 2pkmA-2ffhA:
23.79
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.
2fr1 ERYTHROMYCIN
SYNTHASE, ERYAI

(Saccharopolyspora
erythraea) 		PF08659
(KR) 		5 SER A1630
GLY A1632
GLY A1631
ALA A1626
GLY A1463
 None
 0.90A 2pkmA-2fr1A:
4.7		 2pkmA-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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 ALA A 743
GLY A 678
GLY A 679
ALA A 681
GLY A 719
 None
 0.89A 2pkmA-2hg4A:
undetectable		 2pkmA-2hg4A:
19.18
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.
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
 0.40A 2pkmA-2i6bA:
23.5		 2pkmA-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 2pkmA-2jg5A:
24.2		 2pkmA-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
 1.08A 2pkmA-2jg5A:
24.2		 2pkmA-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.
2p8u HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
CYTOPLASMIC

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A 134
GLY A 132
GLY A 131
GLY A 158
ASP A 159
 None
None
SCY  A 129 ( 4.9A)
None
None
 0.90A 2pkmA-2p8uA:
undetectable		 2pkmA-2p8uA:
23.52
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.
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 2pkmA-2qcvA:
31.6		 2pkmA-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.
2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A 171
GLY A 169
GLY A 168
GLY A 195
ASP A 196
 None
 0.91A 2pkmA-2wyaA:
undetectable		 2pkmA-2wyaA:
22.47
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.
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
 1.47A 2pkmA-2yibD:
undetectable		 2pkmA-2yibD:
17.19
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 ALA A  71
GLY A  69
GLY A  67
ASN A  66
GLY A 624
 None
 0.93A 2pkmA-3abzA:
3.8		 2pkmA-3abzA:
17.14
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
ALA A  10
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 117
GLY A 250
ASP A 253
 AMP  A 501 (-2.8A)
AMP  A 501 (-3.4A)
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 (-3.4A)
AMP  A 501 (-2.8A)
 0.50A 2pkmA-3b1rA:
41.4		 2pkmA-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
ALA A  10
ASP A  12
GLY A  47
GLY A  48
PHE A 117
GLN A 169
 AMP  A 501 (-2.8A)
AMP  A 501 (-3.4A)
AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.5A)
AMP  A 501 (-3.4A)
 0.83A 2pkmA-3b1rA:
41.4		 2pkmA-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 2pkmA-3b3lA:
26.2		 2pkmA-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 2pkmA-3bf5A:
28.0		 2pkmA-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.
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
 0.33A 2pkmA-3ewmA:
29.2		 2pkmA-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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		5 GLY A  33
GLY A  34
ASN A  38
GLY A 244
ASP A 247
 None
 0.75A 2pkmA-3ewmA:
29.2		 2pkmA-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.
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 2pkmA-3go7A:
30.9		 2pkmA-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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 SER A 103
ALA A 124
GLY A 104
ASN A  23
ALA A  78
GLY A  50
 None
None
None
RIB  A 305 (-3.7A)
None
RIB  A 305 ( 3.7A)
 1.48A 2pkmA-3go7A:
30.9		 2pkmA-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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 SER A 103
ALA A 124
GLY A 104
ASN A  23
ALA A  78
GLY A  51
 None
None
None
RIB  A 305 (-3.7A)
None
RIB  A 305 (-3.1A)
 1.38A 2pkmA-3go7A:
30.9		 2pkmA-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
 0.45A 2pkmA-3hj6A:
25.2		 2pkmA-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
 0.82A 2pkmA-3i3yA:
26.2		 2pkmA-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.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		5 ALA A 327
GLY A 328
PHE A  68
GLY A  56
ASP A  58
 EDO  A 364 ( 4.2A)
None
EDO  A 364 ( 3.5A)
None
None
 0.93A 2pkmA-3ianA:
undetectable		 2pkmA-3ianA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.76A 2pkmA-3in1A:
29.2		 2pkmA-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
 0.33A 2pkmA-3in1A:
29.2		 2pkmA-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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 ALA A 120
GLY A 118
GLY A 119
PHE A 316
GLY A 248
 None
AHZ  A 500 (-2.7A)
AHZ  A 500 (-3.8A)
None
AHZ  A 500 (-3.1A)
 0.90A 2pkmA-3jskA:
4.1		 2pkmA-3jskA:
24.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  26
GLY A  27
PHE A  81
GLY A 234
ASP A 237
 AMP  A 509 (-2.8A)
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
AMP  A 509 (-4.7A)
AMP  A 509 (-3.3A)
AMP  A 509 ( 3.3A)
 1.33A 2pkmA-3kd6A:
31.2		 2pkmA-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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		7 SER A   8
ALA A  10
ASP A  12
GLY A  26
GLY A  27
GLY A 234
ASP A 237
 AMP  A 509 (-2.7A)
AMP  A 509 ( 3.8A)
AMP  A 509 (-2.8A)
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
AMP  A 509 (-3.3A)
AMP  A 509 ( 3.3A)
 0.72A 2pkmA-3kd6A:
31.2		 2pkmA-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
 0.48A 2pkmA-3kzhA:
26.6		 2pkmA-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)
 0.25A 2pkmA-3looA:
28.4		 2pkmA-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.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 350
GLY A 347
GLY A 346
ALA A 404
GLY A 106
 None
 0.88A 2pkmA-3o04A:
undetectable		 2pkmA-3o04A:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2pkmA-3otxA:
27.4		 2pkmA-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.
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
 0.42A 2pkmA-3pl2A:
29.1		 2pkmA-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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		6 ASP A  19
GLY A  40
GLY A  41
ASN A  45
PHE A 111
ASP A 264
 None
 1.01A 2pkmA-3pl2A:
29.1		 2pkmA-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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		6 ALA A  10
ASP A  12
GLY A  37
GLY A  38
GLY A 248
ASP A 251
 None
 0.88A 2pkmA-3q1yA:
25.5		 2pkmA-3q1yA:
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.
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
 0.60A 2pkmA-3ry7A:
26.2		 2pkmA-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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		6 SER A  82
ALA A 122
GLY A 121
GLY A 118
ASN A 117
GLY A 324
 None
 1.18A 2pkmA-3t6sA:
undetectable		 2pkmA-3t6sA:
23.01
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.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		6 SER A  82
ALA A 122
GLY A 121
GLY A 118
ASN A 117
GLY A 325
 None
 1.32A 2pkmA-3t6sA:
undetectable		 2pkmA-3t6sA:
23.01
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.
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 2pkmA-3uboA:
31.3		 2pkmA-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
 0.78A 2pkmA-3uqeA:
24.1		 2pkmA-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)
 0.35A 2pkmA-3vasA:
28.9		 2pkmA-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)
 0.82A 2pkmA-3vasA:
28.9		 2pkmA-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.
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
 0.90A 2pkmA-4a27A:
2.4		 2pkmA-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.
4b45 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 ALA A 112
GLY A 110
GLY A 108
ALA A  11
GLY A  66
 None
None
GSP  A1342 (-4.0A)
GSP  A1342 (-3.3A)
GSP  A1342 (-3.4A)
 0.88A 2pkmA-4b45A:
6.2		 2pkmA-4b45A:
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.
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 2pkmA-4b8sA:
17.7		 2pkmA-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.
4dqn PUTATIVE
BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE
ILVE

(Streptococcus
mutans) 		PF01063
(Aminotran_4) 		6 SER A 242
ALA A 182
GLY A 181
ASN A 188
ALA A 176
GLY A 187
 None
 1.37A 2pkmA-4dqnA:
undetectable		 2pkmA-4dqnA:
23.04
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)
 0.29A 2pkmA-4e3aA:
32.1		 2pkmA-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 2pkmA-4e84A:
24.6		 2pkmA-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)
 0.31A 2pkmA-4gm6A:
25.7		 2pkmA-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
 0.71A 2pkmA-4ha6A:
3.6		 2pkmA-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.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		6 ALA A 186
GLY A 174
GLY A 185
ASN A 182
ALA A  25
GLY A 206
 None
None
None
PCA  A  23 ( 3.3A)
None
PCA  A  23 ( 3.1A)
 1.40A 2pkmA-4haqA:
undetectable		 2pkmA-4haqA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN

(Micromonospora
viridifaciens) 		PF13088
(BNR_2) 		5 ALA A  93
GLY A  95
ASN A  97
GLY A  86
ASP A  85
 None
 0.90A 2pkmA-4j9tA:
undetectable		 2pkmA-4j9tA:
21.88
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.
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 2pkmA-4lglA:
2.5		 2pkmA-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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 349
GLY A 346
GLY A 345
ALA A 403
GLY A 105
 None
 0.89A 2pkmA-4ls5A:
undetectable		 2pkmA-4ls5A:
22.32
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.
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 2pkmA-4o9xA:
undetectable		 2pkmA-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) 		6 ALA A  10
GLY A  48
ASN A  52
PHE A 116
GLY A 254
ASP A 257
 HO4  A 401 (-3.3A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.6A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 1.25A 2pkmA-4pvvA:
47.6		 2pkmA-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) 		10 SER A   8
ALA A  10
ASP A  12
GLY A  47
GLY A  48
ASN A  52
PHE A 116
ALA A 146
GLY A 254
ASP A 257
 HO4  A 401 (-2.8A)
HO4  A 401 (-3.3A)
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 (-4.3A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.59A 2pkmA-4pvvA:
47.6		 2pkmA-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
ALA A  10
ASP A  12
GLY A  48
PHE A 116
ALA A 146
GLN A 172
ASP A 257
 HO4  A 401 (-2.8A)
HO4  A 401 (-3.3A)
HO4  A 401 (-2.4A)
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)
 0.86A 2pkmA-4pvvA:
47.6		 2pkmA-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 2pkmA-4rw3A:
undetectable		 2pkmA-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
 0.74A 2pkmA-4udrA:
undetectable		 2pkmA-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
 0.94A 2pkmA-4uooA:
undetectable		 2pkmA-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 2pkmA-4uzjA:
undetectable		 2pkmA-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 2pkmA-4wjmA:
27.6		 2pkmA-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
 0.58A 2pkmA-4x8fA:
29.1		 2pkmA-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)
 0.71A 2pkmA-4xf7A:
27.0		 2pkmA-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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N)
PF17147
(PFOR_II) 		5 SER A 214
ALA A 175
GLY A 174
GLY A 211
PHE A 144
 None
 0.75A 2pkmA-5b47A:
undetectable		 2pkmA-5b47A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2pkmA-5c41A:
30.6		 2pkmA-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 2pkmA-5c41A:
30.6		 2pkmA-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)
 0.74A 2pkmA-5ck7A:
16.4		 2pkmA-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 ALA A  27
GLY A  44
GLY A  45
ASN A  49
GLY A 263
ASP A 266
 None
 1.37A 2pkmA-5ey7A:
29.9		 2pkmA-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.
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
 0.43A 2pkmA-5ey7A:
29.9		 2pkmA-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 2pkmA-5i68A:
undetectable		 2pkmA-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.
5lpe KALLIKREIN-10

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA A  43
GLY A 196
GLY A 197
ALA A 139
GLY A 211
 None
 0.93A 2pkmA-5lpeA:
undetectable		 2pkmA-5lpeA:
22.61
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.
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)
 0.35A 2pkmA-5o0jA:
undetectable		 2pkmA-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
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)
 0.37A 2pkmA-5od2A:
4.2		 2pkmA-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.
5t33 CAP257-RH1 HEAVY
CHAIN
RHPA GP120 CORE

(Homo sapiens;
Human
immunodeficiency
virus) 		PF00516
(GP120)
PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H  33
GLY H  97
GLY H  98
ASN G 280
GLY G 458
 None
 0.93A 2pkmA-5t33H:
undetectable		 2pkmA-5t33H:
21.85
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.
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)
 1.38A 2pkmA-5tsqA:
5.5		 2pkmA-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.
5wue UNCHARACTERIZED
PROTEIN

(Sulfolobus
acidocaldarius) 		PF03458
(UPF0126) 		6 SER A 163
ALA A 111
GLY A 110
GLY A 128
ALA A 159
GLY A  49
 None
 1.49A 2pkmA-5wueA:
undetectable		 2pkmA-5wueA:
22.51
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.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus) 		PF01261
(AP_endonuc_2) 		6 ALA A 262
GLY A 263
ASN A 250
ALA A 267
GLN A 222
GLY A 251
 None
 1.47A 2pkmA-5y4jA:
undetectable		 2pkmA-5y4jA:
25.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aun PLA2G6, IPLA2BETA

(Cricetulus
griseus) 		no annotation 5 ALA A 471
GLY A 468
GLY A 463
ALA A 610
GLY A 532
 None
 0.90A 2pkmA-6aunA:
undetectable		 2pkmA-6aunA:
14.84
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.
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
 0.51A 2pkmA-6cw5A:
31.8		 2pkmA-6cw5A:
15.03