SIMILAR PATTERNS OF AMINO ACIDS FOR 4DC3_B_2FAB401_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		10 ASN A  20
ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
THR A 140
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.81A 4dc3B-1dgmA:
41.4		 4dc3B-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		6 LEU A  46
GLY A  68
ASN A  73
THR A 140
LEU A 142
GLY A 315
 None
ADN  A 375 ( 4.5A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
 1.38A 4dc3B-1dgmA:
41.4		 4dc3B-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		6 LEU A  46
GLY A  68
GLY A  69
THR A 140
LEU A 142
GLY A 353
 None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
None
 1.16A 4dc3B-1dgmA:
41.4		 4dc3B-1dgmA:
31.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ga8 GALACTOSYL
TRANSFERASE LGTC

(Neisseria
meningitidis) 		PF01501
(Glyco_transf_8) 		6 LEU A 158
GLY A 198
GLY A 199
LEU A 120
ASN A 193
GLY A 194
 None
 1.48A 4dc3B-1ga8A:
2.0		 4dc3B-1ga8A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jp4 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE

(Rattus
norvegicus) 		PF00459
(Inositol_P) 		5 ASP A 120
LEU A 270
GLY A 220
THR A 248
LEU A 262
 MG  A 701 (-3.1A)
None
AMP  A 601 (-3.5A)
None
None
 0.93A 4dc3B-1jp4A:
undetectable		 4dc3B-1jp4A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		6 LEU A 132
GLY A  96
VAL A 106
THR A 110
LEU A 101
GLY A  89
 None
 1.40A 4dc3B-1qvrA:
undetectable		 4dc3B-1qvrA:
18.18
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  16
GLY A  41
GLY A  42
ASN A  46
ASP A 255
 RIB  A 311 (-2.8A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.4A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.1A)
 0.39A 4dc3B-1rk2A:
33.0		 4dc3B-1rk2A:
25.06
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.
1rli TRP REPRESSOR
BINDING PROTEIN

(Bacillus
subtilis) 		PF03358
(FMN_red) 		6 LEU A 168
GLY A  13
GLY A  14
LEU A 162
ASN A   7
GLY A   9
 None
None
PT  A 606 ( 4.9A)
None
None
None
 1.26A 4dc3B-1rliA:
undetectable		 4dc3B-1rliA:
18.75
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.
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)
 0.43A 4dc3B-1tz6A:
31.1		 4dc3B-1tz6A:
27.82
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.
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)
 0.49A 4dc3B-1ua4A:
24.4		 4dc3B-1ua4A:
23.27
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		6 LEU A 170
GLY A  33
GLY A  34
ASN A  38
GLY A 248
ASP A 251
 None
 0.81A 4dc3B-1v19A:
28.3		 4dc3B-1v19A:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		6 LEU A 170
GLY A  34
ASN A  38
LEU A 138
GLY A 248
ASP A 251
 None
 1.06A 4dc3B-1v19A:
28.3		 4dc3B-1v19A:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  39
GLY A  40
ASN A  44
ASP A 246
 None
 0.68A 4dc3B-1vm7A:
30.8		 4dc3B-1vm7A:
27.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A  44
GLY A 359
GLY A 360
THR A  36
LEU A  38
 None
 0.88A 4dc3B-1zfjA:
undetectable		 4dc3B-1zfjA:
22.04
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 117
GLY A 107
GLY A 106
THR A 113
GLY A 137
 None
None
FAD  A 501 (-3.5A)
None
FAD  A 501 (-3.3A)
 0.91A 4dc3B-1zr6A:
undetectable		 4dc3B-1zr6A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.39A 4dc3B-2abqA:
26.0		 4dc3B-2abqA:
24.06
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		7 LEU A 171
GLY A  32
GLY A  33
ASN A  37
LEU A 139
GLY A 277
ASP A 280
 None
 1.02A 4dc3B-2afbA:
27.4		 4dc3B-2afbA:
25.19
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		7 ASN A   8
ASP A  12
GLY A  39
GLY A  40
ASN A  44
GLY A 258
ASP A 261
 None
ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
None
 1.01A 4dc3B-2ajrA:
24.9		 4dc3B-2ajrA:
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.
2bnh RIBONUCLEASE
INHIBITOR

(Sus scrofa) 		PF13516
(LRR_6) 		6 ASN A 175
LEU A 157
GLY A 205
ASN A 232
LEU A 149
ASN A 210
 None
 1.48A 4dc3B-2bnhA:
undetectable		 4dc3B-2bnhA:
20.12
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		6 ASP A  17
GLY A  42
GLY A  43
ASN A  47
GLY A 244
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
None
ADN  A1301 (-2.9A)
 0.63A 4dc3B-2c49A:
29.2		 4dc3B-2c49A:
25.52
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.
2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like) 		6 ASP A  42
LEU A  68
GLY A  43
VAL A  38
LEU A  63
GLY A 274
 MG  A 401 (-2.5A)
None
None
None
None
None
 1.45A 4dc3B-2cw6A:
3.1		 4dc3B-2cw6A:
21.22
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.
2epj GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Aeropyrum
pernix) 		PF00202
(Aminotran_3) 		5 GLY A 276
GLY A 275
VAL A 279
LEU A 101
GLY A  66
 None
 0.88A 4dc3B-2epjA:
undetectable		 4dc3B-2epjA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  36
GLY A  37
GLY A 252
ASP A 255
 None
None
None
None
ATP  A 411 (-3.6A)
ATP  A 411 (-4.1A)
 1.10A 4dc3B-2f02A:
24.9		 4dc3B-2f02A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  36
GLY A  37
ASN A  41
GLY A 252
ASP A 255
 None
None
None
None
ATP  A 411 (-3.6A)
ATP  A 411 (-4.1A)
 0.96A 4dc3B-2f02A:
24.9		 4dc3B-2f02A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 ASP A 154
LEU A 352
GLY A 149
ASN A 185
VAL A 153
 None
 0.92A 4dc3B-2f43A:
2.1		 4dc3B-2f43A:
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 ASN A 185
VAL A 189
THR A 166
LEU A 161
GLY A 175
 None
None
None
None
NAD  A5555 (-3.7A)
 0.90A 4dc3B-2fknA:
undetectable		 4dc3B-2fknA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 ASN A 185
VAL A 189
THR A 166
LEU A 161
GLY A 176
 None
 0.86A 4dc3B-2fknA:
undetectable		 4dc3B-2fknA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		9 ASN A  14
ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 1.00A 4dc3B-2i6bA:
41.8		 4dc3B-2i6bA:
36.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.77A 4dc3B-2jg5A:
25.3		 4dc3B-2jg5A:
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.
2o2g DIENELACTONE
HYDROLASE

(Trichormus
variabilis) 		PF01738
(DLH) 		6 LEU A 184
GLY A 119
GLY A 124
VAL A 141
THR A 162
LEU A 164
 None
 1.09A 4dc3B-2o2gA:
6.0		 4dc3B-2o2gA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppv UNCHARACTERIZED
PROTEIN

(Staphylococcus
epidermidis) 		PF01933
(UPF0052) 		5 LEU A  22
GLY A  10
ASN A 194
VAL A  60
LEU A  18
 None
 0.92A 4dc3B-2ppvA:
9.1		 4dc3B-2ppvA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4dc3B-2qcvA:
32.3		 4dc3B-2qcvA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2tpt THYMIDINE
PHOSPHORYLASE

(Escherichia
coli) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 LEU A  98
GLY A  89
GLY A  88
THR A  94
GLY A 116
 None
 0.92A 4dc3B-2tptA:
3.3		 4dc3B-2tptA:
21.86
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.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 ASN A 639
LEU A 671
GLY A 634
VAL A 665
GLY A 623
 None
 0.92A 4dc3B-2xpzA:
undetectable		 4dc3B-2xpzA:
20.57
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.
2z84 UFM1-SPECIFIC
PROTEASE 1

(Mus musculus) 		PF07910
(Peptidase_C78) 		5 ASP A 152
LEU A 127
GLY A 149
GLY A 148
LEU A 121
 None
 0.92A 4dc3B-2z84A:
undetectable		 4dc3B-2z84A:
17.24
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.
2zau SELENIDE, WATER
DIKINASE

(Aquifex
aeolicus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		6 LEU A 177
GLY A 297
ASN A 202
VAL A 293
THR A 174
ASN A  79
 None
 1.39A 4dc3B-2zauA:
undetectable		 4dc3B-2zauA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 250
ASP A 253
 AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.4A)
AMP  A 501 (-2.8A)
 0.62A 4dc3B-3b1rA:
27.5		 4dc3B-3b1rA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 GLY A  40
GLY A  41
ASN A  45
GLY A 255
ASP A 258
 None
 0.61A 4dc3B-3b3lA:
27.2		 4dc3B-3b3lA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c87 ENTEROCHELIN
ESTERASE

(Shigella
flexneri) 		PF00756
(Esterase)
PF11806
(DUF3327) 		5 LEU A 359
GLY A 279
GLY A 284
VAL A 301
LEU A 339
 None
 0.93A 4dc3B-3c87A:
3.4		 4dc3B-3c87A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 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) 		7 ASP A  13
LEU A 167
GLY A  33
GLY A  34
ASN A  38
GLY A 244
ASP A 247
 None
 1.03A 4dc3B-3ewmA:
31.0		 4dc3B-3ewmA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		7 ASP A  13
LEU A 167
GLY A  33
GLY A  34
ASN A  38
VAL A  90
ASP A 247
 None
 0.93A 4dc3B-3ewmA:
31.0		 4dc3B-3ewmA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fk4 RUBISCO-LIKE PROTEIN

(Bacillus cereus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 390
GLY A 372
GLY A 373
LEU A 402
GLY A 169
 None
 0.93A 4dc3B-3fk4A:
undetectable		 4dc3B-3fk4A:
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 ASP A  25
GLY A  50
GLY A  51
ASN A  55
GLY A 239
ASP A 242
 RIB  A 305 (-2.8A)
RIB  A 305 ( 3.7A)
RIB  A 305 (-3.1A)
RIB  A 305 (-3.2A)
RIB  A 305 ( 4.5A)
RIB  A 305 (-2.9A)
 0.43A 4dc3B-3go7A:
27.4		 4dc3B-3go7A:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		6 ASP A  33
LEU A 188
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.78A 4dc3B-3hj6A:
29.1		 4dc3B-3hj6A:
22.88
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		6 ASP A  33
LEU A 188
GLY A  54
GLY A  55
ASN A  59
VAL A 111
 None
 0.95A 4dc3B-3hj6A:
29.1		 4dc3B-3hj6A:
22.88
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.
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
 0.84A 4dc3B-3i3yA:
25.9		 4dc3B-3i3yA:
26.00
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
GLY A  38
ASN A  42
THR A 107
 None
 0.66A 4dc3B-3i3yA:
25.9		 4dc3B-3i3yA:
26.00
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		6 ASP A  15
GLY A  41
GLY A  42
ASN A  46
GLY A 257
ASP A 260
 None
None
None
None
NA  A 411 ( 4.9A)
None
 0.78A 4dc3B-3in1A:
30.4		 4dc3B-3in1A:
26.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		6 ASP A  15
GLY A  42
ASN A  46
LEU A 118
GLY A 257
ASP A 260
 None
None
None
None
NA  A 411 ( 4.9A)
None
 1.07A 4dc3B-3in1A:
30.4		 4dc3B-3in1A:
26.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		6 ASP A  12
LEU A 101
GLY A  26
GLY A  27
GLY A 234
ASP A 237
 AMP  A 509 (-2.8A)
None
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
AMP  A 509 (-3.3A)
AMP  A 509 ( 3.3A)
 1.40A 4dc3B-3kd6A:
27.5		 4dc3B-3kd6A:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.39A 4dc3B-3kzhA:
27.1		 4dc3B-3kzhA:
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.
3lki FRUCTOKINASE

(Xylella
fastidiosa) 		PF00294
(PfkB) 		5 ASP A  24
GLY A  44
GLY A  45
ASN A  49
ASP A 270
 None
 0.70A 4dc3B-3lkiA:
26.8		 4dc3B-3lkiA:
24.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		10 ASN A  14
ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 137
ASN A 296
GLY A 297
ASP A 300
 B4P  A 349 ( 4.0A)
B4P  A 349 (-2.8A)
None
B4P  A 349 ( 3.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
None
B4P  A 349 (-3.6A)
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
 0.71A 4dc3B-3looA:
47.5		 4dc3B-3looA:
38.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		8 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.42A 4dc3B-3otxA:
45.5		 4dc3B-3otxA:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		6 ASN A  13
LEU A  39
ASN A  67
LEU A 138
GLY A 298
ASP A 299
 AP5  A 346 (-4.1A)
None
AP5  A 346 (-3.4A)
None
AP5  A 346 (-3.2A)
AP5  A 346 ( 3.2A)
 1.42A 4dc3B-3otxA:
45.5		 4dc3B-3otxA:
30.65
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.
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
 0.49A 4dc3B-3pl2A:
31.4		 4dc3B-3pl2A:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  37
GLY A  38
GLY A 248
ASP A 251
 None
 1.05A 4dc3B-3q1yA:
25.4		 4dc3B-3q1yA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  40
GLY A  41
ASN A  45
ASP A 254
 GOL  A 401 (-3.1A)
GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
None
 0.62A 4dc3B-3ry7A:
27.8		 4dc3B-3ry7A:
24.17
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		10 ASN A  11
ASP A  15
LEU A  37
GLY A  58
GLY A  59
ASN A  63
THR A 129
LEU A 131
GLY A 275
ASP A 278
 ADN  A 353 (-3.7A)
ADN  A 353 (-2.8A)
None
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
None
ADN  A 353 (-3.7A)
ADN  A 353 (-3.3A)
 0.57A 4dc3B-3uboA:
39.9		 4dc3B-3uboA:
25.30
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		6 ASP A  15
LEU A 131
ASN A  63
THR A 129
GLY A 275
ASP A 278
 ADN  A 353 (-2.8A)
None
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
ADN  A 353 (-3.7A)
ADN  A 353 (-3.3A)
 1.42A 4dc3B-3uboA:
39.9		 4dc3B-3uboA:
25.30
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		6 LEU A  37
GLY A  59
ASN A  63
THR A 129
LEU A 131
GLY A 275
 None
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
None
ADN  A 353 (-3.7A)
 1.31A 4dc3B-3uboA:
39.9		 4dc3B-3uboA:
25.30
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.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  38
GLY A  39
ASN A  43
ASP A 256
 None
 0.79A 4dc3B-3uqeA:
25.0		 4dc3B-3uqeA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.63A 4dc3B-3uqeA:
25.0		 4dc3B-3uqeA:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		12 ASN A  14
ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
VAL A 123
THR A 136
LEU A 138
ASN A 298
GLY A 299
ASP A 302
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.7A)
None
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-4.5A)
ADN  A 401 (-3.1A)
ADN  A 401 (-4.9A)
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 0.15A 4dc3B-3vasA:
62.6		 4dc3B-3vasA:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		6 GLY A  64
VAL A 123
THR A 136
LEU A  40
ASN A 298
GLY A 299
 ADN  A 401 (-3.7A)
ADN  A 401 (-4.5A)
ADN  A 401 (-3.1A)
None
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
 1.24A 4dc3B-3vasA:
62.6		 4dc3B-3vasA:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		7 LEU A  40
GLY A  63
ASN A  68
VAL A 123
THR A 136
ASN A 298
GLY A 299
 None
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-4.5A)
ADN  A 401 (-3.1A)
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
 1.13A 4dc3B-3vasA:
62.6		 4dc3B-3vasA:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		6 LEU A 138
GLY A  63
VAL A 123
THR A 136
ASN A 298
GLY A 299
 ADN  A 401 (-4.9A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-4.5A)
ADN  A 401 (-3.1A)
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
 1.30A 4dc3B-3vasA:
62.6		 4dc3B-3vasA:
99.46
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.
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)
 0.43A 4dc3B-4b8sA:
22.9		 4dc3B-4b8sA:
21.73
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.
4byf UNCONVENTIONAL
MYOSIN-IC

(Homo sapiens) 		PF00063
(Myosin_head)
PF00612
(IQ) 		6 LEU A 119
GLY A 164
THR A 115
LEU A 384
ASN A 151
GLY A 150
 None
 1.31A 4dc3B-4byfA:
undetectable		 4dc3B-4byfA:
20.61
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.
4du5 PFKB

(Polaromonas sp.
JS666) 		PF00294
(PfkB) 		5 LEU A 197
GLY A  59
ASN A  63
GLY A 282
ASP A 285
 None
CL  A 401 ( 3.8A)
None
None
None
 0.92A 4dc3B-4du5A:
30.6		 4dc3B-4du5A:
26.75
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		10 ASN A   9
ASP A  13
LEU A  35
GLY A  56
GLY A  57
ASN A  61
THR A 127
LEU A 129
GLY A 273
ASP A 276
 ADN  A 500 (-3.8A)
ADN  A 500 (-2.7A)
None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
None
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 0.47A 4dc3B-4e3aA:
40.2		 4dc3B-4e3aA:
28.54
Potential target for repurposing, i.e. matched protein structure has less than 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
LEU A 129
ASN A  61
THR A 127
GLY A 273
ASP A 276
 ADN  A 500 (-2.7A)
None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 1.36A 4dc3B-4e3aA:
40.2		 4dc3B-4e3aA:
28.54
Potential target for repurposing, i.e. matched protein structure has less than 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 LEU A  35
GLY A  57
ASN A  61
THR A 127
LEU A 129
GLY A 273
 None
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
None
ADN  A 500 (-3.9A)
 1.28A 4dc3B-4e3aA:
40.2		 4dc3B-4e3aA:
28.54
Potential target for repurposing, i.e. matched protein structure has less than 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 LEU A 129
GLY A  56
ASN A  61
THR A 127
GLY A 273
ASP A 276
 None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 1.46A 4dc3B-4e3aA:
40.2		 4dc3B-4e3aA:
28.54
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.78A 4dc3B-4e84A:
25.8		 4dc3B-4e84A:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		6 LEU A 140
GLY A  33
GLY A  34
ASN A  38
GLY A 267
ASP A 270
 None
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)
 1.35A 4dc3B-4gm6A:
25.1		 4dc3B-4gm6A:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		6 LEU A 172
GLY A  33
GLY A  34
ASN A  38
GLY A 267
ASP A 270
 None
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)
 0.79A 4dc3B-4gm6A:
25.1		 4dc3B-4gm6A:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		6 LEU A 172
GLY A  34
ASN A  38
LEU A 140
GLY A 267
ASP A 270
 None
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
None
GOL  A 401 ( 4.5A)
GOL  A 401 (-3.0A)
 1.10A 4dc3B-4gm6A:
25.1		 4dc3B-4gm6A:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hbs PUTATIVE HYDROLASE

(Bacteroides
ovatus) 		PF16396
(DUF5005) 		5 GLY A  99
GLY A  72
ASN A  74
VAL A 149
GLY A  75
 None
 0.89A 4dc3B-4hbsA:
undetectable		 4dc3B-4hbsA:
21.44
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 254
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.58A 4dc3B-4pvvA:
28.1		 4dc3B-4pvvA:
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.
4wfi CUTINASE

(Saccharomonospora
viridis) 		PF03403
(PAF-AH_p_II) 		5 LEU A 238
GLY A 174
GLY A 179
THR A 214
GLY A 143
 None
 0.92A 4dc3B-4wfiA:
4.8		 4dc3B-4wfiA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.60A 4dc3B-4wjmA:
30.0		 4dc3B-4wjmA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		6 LEU A 162
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)
 0.92A 4dc3B-4wjmA:
30.0		 4dc3B-4wjmA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wm0 XYLOSIDE
XYLOSYLTRANSFERASE 1

(Mus musculus) 		PF01501
(Glyco_transf_8) 		5 ASN A 386
GLY A 383
ASN A 288
GLY A 290
ASP A 225
 None
 0.86A 4dc3B-4wm0A:
undetectable		 4dc3B-4wm0A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 LEU A 107
GLY A 292
THR A 103
LEU A 307
GLY A  90
 None
 0.90A 4dc3B-4wy8A:
2.5		 4dc3B-4wy8A:
22.17
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.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  38
GLY A  39
ASN A  43
ASP A 252
 None
 0.65A 4dc3B-4x8fA:
29.9		 4dc3B-4x8fA:
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.
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis) 		no annotation 6 ASP A  12
GLY A  25
GLY A  26
LEU A  89
GLY A 216
ASP A 219
 INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
None
ACP  A 302 (-3.9A)
INS  A 301 (-2.7A)
 1.25A 4dc3B-4xf7A:
22.9		 4dc3B-4xf7A:
21.28
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.
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)
 0.52A 4dc3B-5c41A:
32.8		 4dc3B-5c41A:
25.06
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.
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)
 0.76A 4dc3B-5ck7A:
20.2		 4dc3B-5ck7A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		7 ASP A  30
GLY A  44
GLY A  45
ASN A  49
VAL A 101
GLY A 263
ASP A 266
 None
 0.58A 4dc3B-5ey7A:
31.4		 4dc3B-5ey7A:
23.85
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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 GLY A 393
GLY A 392
ASN A 390
GLY A 506
ASP A 507
 None
 0.88A 4dc3B-5h7wA:
undetectable		 4dc3B-5h7wA:
21.51
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.
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)
 0.47A 4dc3B-5o0jA:
24.0		 4dc3B-5o0jA:
12.86
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.
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)
 0.48A 4dc3B-5od2A:
20.6		 4dc3B-5od2A:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind) 		5 ASN A 383
GLY A 380
GLY A 381
THR A 353
GLY A 665
 None
None
None
None
7A2  A 901 ( 3.4A)
 0.89A 4dc3B-5te1A:
3.3		 4dc3B-5te1A:
18.57
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 5 ASP A  11
GLY A  25
GLY A  26
THR A  74
ASN A  78
 INS  A 301 (-2.7A)
INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
None
INS  A 301 (-3.0A)
 0.83A 4dc3B-5ysqA:
24.8		 4dc3B-5ysqA:
10.66
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.
6ape BIFUNCTIONAL PROTEIN
FOLD

(Helicobacter
pylori) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 LEU A 224
GLY A 234
GLY A 245
ASN A 236
VAL A 211
 None
GOL  A 303 (-3.6A)
None
GOL  A 303 ( 4.6A)
None
 0.92A 4dc3B-6apeA:
undetectable		 4dc3B-6apeA:
27.25
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.
6b74 COAGULATION FACTOR
XII

(Homo sapiens) 		no annotation 5 LEU B  64
GLY B 197
GLY B 196
LEU B 106
GLY B 193
 None
None
None
None
SO4  B 304 (-3.7A)
 0.76A 4dc3B-6b74B:
undetectable		 4dc3B-6b74B:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 5 ASP A  36
GLY A 114
GLY A 115
GLY A 468
ASP A 471
 None
None
None
ADP  A 501 (-3.8A)
ADP  A 501 (-3.6A)
 0.89A 4dc3B-6c8zA:
18.2		 4dc3B-6c8zA:
17.05
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 6 ASP A  16
GLY A  41
GLY A  42
ASN A  46
GLY A 270
ASP A 273
 GOL  A 400 (-2.8A)
GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
None
None
 0.53A 4dc3B-6cw5A:
30.8		 4dc3B-6cw5A:
12.70
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.
6f5d ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Trypanosoma
brucei) 		no annotation 5 ASP A 167
LEU A 365
GLY A 162
ASN A 198
VAL A 166
 None
 0.92A 4dc3B-6f5dA:
2.3		 4dc3B-6f5dA:
13.07