SIMILAR PATTERNS OF AMINO ACIDS FOR 5KB5_A_ADNA401_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) 		7 ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
CYH A 127
LEU A 142
 ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
None
 0.52A 5kb5A-1dgmA:
42.7		 5kb5A-1dgmA:
32.38
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) 		7 ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
LEU A 142
ASP A 318
 ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ADN  A 375 ( 3.1A)
 0.65A 5kb5A-1dgmA:
42.7		 5kb5A-1dgmA:
32.38
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) 		7 LEU A  46
GLY A  68
GLY A  69
ASN A  73
CYH A 127
LEU A 142
GLY A 315
 None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
None
ACY  A 370 (-3.1A)
 0.87A 5kb5A-1dgmA:
42.7		 5kb5A-1dgmA:
32.38
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) 		7 LEU A  46
GLY A  68
GLY A  69
ASN A  73
LEU A 142
GLY A 315
ASP A 318
 None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.79A 5kb5A-1dgmA:
42.7		 5kb5A-1dgmA:
32.38
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.
1drt CLAVAMINATE SYNTHASE
1

(Streptomyces
clavuligerus) 		PF02668
(TauD) 		5 LEU A  46
GLY A  57
ALA A  49
LEU A  50
ASP A  60
 None
 0.91A 5kb5A-1drtA:
undetectable		 5kb5A-1drtA:
20.48
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.
1ea9 CYCLOMALTODEXTRINASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 LEU C 221
GLY C 144
GLY C 173
ASN C 148
GLY C 168
 None
 1.05A 5kb5A-1ea9C:
3.3		 5kb5A-1ea9C:
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.
1ltd FLAVOCYTOCHROME B2

(Saccharomyces
cerevisiae) 		PF00173
(Cyt-b5)
PF01070
(FMN_dh) 		5 GLY A 410
GLY A 411
ALA A 160
ASN A 372
GLY A 375
 FMN  A 570 (-3.5A)
FMN  A 570 (-3.9A)
None
None
None
 1.01A 5kb5A-1ltdA:
undetectable		 5kb5A-1ltdA:
21.25
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.
1q50 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Leishmania
mexicana) 		PF00342
(PGI) 		5 LEU A 532
GLY A 210
ALA A 217
LEU A 397
GLY A 333
 None
 1.03A 5kb5A-1q50A:
undetectable		 5kb5A-1q50A:
22.97
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.
1qcw FLAVOCYTOCHROME B2

(Saccharomyces
cerevisiae) 		PF01070
(FMN_dh) 		5 GLY A 410
GLY A 411
ALA A 160
ASN A 372
GLY A 375
 FNS  A 570 (-3.5A)
FNS  A 570 (-4.0A)
None
None
None
 0.98A 5kb5A-1qcwA:
undetectable		 5kb5A-1qcwA:
22.08
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.
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)
 0.33A 5kb5A-1rk2A:
33.9		 5kb5A-1rk2A:
28.91
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		6 ASP A  16
GLY A  30
GLY A  31
ASN A  35
GLY A 249
ASP A 252
 AIS  A 402 (-2.5A)
AIS  A 402 ( 4.2A)
AIS  A 402 (-3.8A)
AIS  A 402 (-3.9A)
AIS  A 402 ( 4.5A)
AIS  A 402 (-3.0A)
 0.46A 5kb5A-1tz6A:
30.8		 5kb5A-1tz6A:
26.70
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.
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)
 0.40A 5kb5A-1ua4A:
25.2		 5kb5A-1ua4A:
22.95
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.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		5 ASP A 440
GLY A 437
ALA A 268
GLY A 111
ASP A  34
 BGC  A2457 ( 2.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 4.7A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 2.8A)
 0.72A 5kb5A-1ua4A:
25.2		 5kb5A-1ua4A:
22.95
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.
1um1 KIAA1849 PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A  43
ASN A  65
ALA A  49
LEU A  55
GLY A  84
 None
 1.05A 5kb5A-1um1A:
undetectable		 5kb5A-1um1A:
14.64
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.
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
 0.83A 5kb5A-1v19A:
31.6		 5kb5A-1v19A:
26.22
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 GLY A 430
ALA A  84
LEU A 117
GLY A 376
ASP A 520
 None
 0.85A 5kb5A-1z8lA:
undetectable		 5kb5A-1z8lA:
19.77
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.
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
 0.47A 5kb5A-2abqA:
25.6		 5kb5A-2abqA:
22.89
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 LEU A 171
GLY A  32
GLY A  33
ASN A  37
GLY A 277
ASP A 280
 None
 0.94A 5kb5A-2afbA:
30.5		 5kb5A-2afbA:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 LEU A 171
GLY A  33
ASN A  37
LEU A 139
GLY A 277
ASP A 280
 None
 1.05A 5kb5A-2afbA:
30.5		 5kb5A-2afbA:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  39
GLY A  40
ASN A  44
GLY A 258
ASP A 261
 ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
None
 0.38A 5kb5A-2ajrA:
25.5		 5kb5A-2ajrA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.54A 5kb5A-2c49A:
30.5		 5kb5A-2c49A:
27.32
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.
2ddu REELIN

(Mus musculus) 		no annotation 5 LEU A1459
GLY A1488
LEU A1484
GLY A1364
ASP A1365
 None
 1.03A 5kb5A-2dduA:
undetectable		 5kb5A-2dduA:
21.56
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.
2e1d TRANSALDOLASE

(Mus musculus) 		PF00923
(TAL_FSA) 		5 LEU A 270
GLY A 235
ALA A 248
LEU A  18
GLY A 213
 None
 1.01A 5kb5A-2e1dA:
undetectable		 5kb5A-2e1dA:
23.91
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 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 123
ALA A 136
LEU A 138
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
89I  A 500 (-4.4A)
None
 0.58A 5kb5A-2i6bA:
47.2		 5kb5A-2i6bA:
86.50
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) 		6 GLY A  64
ASN A  68
LEU A 138
PHE A 170
GLY A 297
ASP A 300
 89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
89I  A 500 (-3.8A)
None
None
 0.66A 5kb5A-2i6bA:
47.2		 5kb5A-2i6bA:
86.50
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) 		8 LEU A  40
GLY A  64
ASN A  68
CYH A 123
ALA A 136
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
None
89I  A 500 (-3.4A)
89I  A 500 (-4.4A)
None
None
 1.04A 5kb5A-2i6bA:
47.2		 5kb5A-2i6bA:
86.50
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 GLY A  36
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 0.58A 5kb5A-2jg5A:
24.8		 5kb5A-2jg5A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nad NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Pseudomonas sp.
101) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 159
GLY A 195
LEU A 189
ASN A 254
GLY A 203
 None
 0.99A 5kb5A-2nadA:
undetectable		 5kb5A-2nadA:
21.97
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.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		5 LEU A 534
GLY A 211
ALA A 218
LEU A 398
GLY A 334
 None
 0.98A 5kb5A-2o2cA:
undetectable		 5kb5A-2o2cA:
20.66
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.
2o2t MULTIPLE PDZ DOMAIN
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A 182
GLY A 146
GLY A 147
ALA A 176
LEU A 140
 None
 0.98A 5kb5A-2o2tA:
undetectable		 5kb5A-2o2tA:
17.25
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.
2q7t PROTEIN TRAI

(Escherichia
coli) 		PF08751
(TrwC) 		5 GLY A  35
GLY A  37
ALA A 163
LEU A  55
GLY A 137
 None
 0.90A 5kb5A-2q7tA:
undetectable		 5kb5A-2q7tA:
20.59
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.
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)
 0.40A 5kb5A-2qcvA:
30.9		 5kb5A-2qcvA:
23.44
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.
2qty POLY(ADP-RIBOSE)
GLYCOHYDROLASE ARH3

(Mus musculus) 		PF03747
(ADP_ribosyl_GH) 		5 ASP A 298
LEU A 289
ALA A 303
ASN A 135
GLY A 136
 MG  A 349 (-2.6A)
None
None
None
None
 1.02A 5kb5A-2qtyA:
undetectable		 5kb5A-2qtyA:
23.57
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.
2uz0 TRIBUTYRIN ESTERASE

(Streptococcus
pneumoniae) 		PF00756
(Esterase) 		5 LEU A 215
GLY A 144
ALA A 211
LEU A 181
GLY A 199
 None
 0.93A 5kb5A-2uz0A:
undetectable		 5kb5A-2uz0A:
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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		5 LEU A 477
GLY A 163
ALA A 170
LEU A 344
GLY A 280
 None
 0.96A 5kb5A-2wu8A:
3.1		 5kb5A-2wu8A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 5kb5A-2z84A:
undetectable		 5kb5A-2z84A:
17.08
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 250
ASP A 253
 AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.4A)
AMP  A 501 (-2.8A)
 0.49A 5kb5A-3b1rA:
29.2		 5kb5A-3b1rA:
24.67
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 GLY A  40
GLY A  41
ASN A  45
GLY A 255
ASP A 258
 None
 0.44A 5kb5A-3b3lA:
26.6		 5kb5A-3b3lA:
23.88
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.
3dzc UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Vibrio cholerae) 		PF02350
(Epimerase_2) 		5 LEU A 301
GLY A 292
GLY A 293
ALA A 298
GLY A 213
 None
 0.91A 5kb5A-3dzcA:
8.4		 5kb5A-3dzcA:
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.
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
 0.45A 5kb5A-3ewmA:
29.8		 5kb5A-3ewmA:
23.00
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		5 GLY A  33
GLY A  34
ASN A  38
LEU A 103
ASP A 247
 None
 0.89A 5kb5A-3ewmA:
29.8		 5kb5A-3ewmA:
23.00
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 GLY A 420
ALA A  74
LEU A 107
GLY A 366
ASP A 510
 None
 0.91A 5kb5A-3fedA:
undetectable		 5kb5A-3fedA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 LEU A 210
GLY A 235
ALA A 206
LEU A 239
GLY A 231
 None
 0.89A 5kb5A-3gjyA:
4.2		 5kb5A-3gjyA:
20.41
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.
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)
 0.33A 5kb5A-3go7A:
29.8		 5kb5A-3go7A:
26.06
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.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		5 ASP A 107
LEU A 234
GLY A 119
GLY A 118
GLY A  50
 5RP  A 501 (-2.6A)
None
5RP  A 501 (-4.0A)
5RP  A 501 (-3.4A)
5RP  A 501 ( 3.9A)
 0.99A 5kb5A-3hheA:
undetectable		 5kb5A-3hheA:
25.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 ASP A  33
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.49A 5kb5A-3hj6A:
28.0		 5kb5A-3hj6A:
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 LEU A 188
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.85A 5kb5A-3hj6A:
28.0		 5kb5A-3hj6A:
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 GLY A  37
GLY A  38
ASN A  42
GLY A 229
ASP A 232
 None
 0.65A 5kb5A-3i3yA:
25.2		 5kb5A-3i3yA:
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.
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
 0.36A 5kb5A-3in1A:
30.0		 5kb5A-3in1A:
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.
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
 0.47A 5kb5A-3kzhA:
28.6		 5kb5A-3kzhA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 415
GLY A 196
GLY A 195
ALA A 357
LEU A 413
 None
 0.92A 5kb5A-3kzuA:
undetectable		 5kb5A-3kzuA:
24.62
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) 		11 ASP A  18
GLY A  63
GLY A  64
ASN A  68
CYH A 122
ALA A 135
LEU A 137
PHE A 168
ASN A 296
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 (-3.6A)
B4P  A 349 (-3.4A)
None
B4P  A 349 (-3.4A)
B4P  A 349 (-3.6A)
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
 0.53A 5kb5A-3looA:
51.7		 5kb5A-3looA:
51.09
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) 		11 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 122
ALA A 135
LEU A 137
PHE A 168
GLY A 297
ASP A 300
 B4P  A 349 (-2.8A)
None
B4P  A 349 ( 3.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.4A)
None
B4P  A 349 (-3.4A)
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
 0.25A 5kb5A-3looA:
51.7		 5kb5A-3looA:
51.09
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) 		6 GLY A  64
ASN A  68
CYH A 122
ALA A 135
ASN A 296
GLY A 297
 B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.4A)
B4P  A 349 (-3.6A)
B4P  A 349 (-2.9A)
 1.15A 5kb5A-3looA:
51.7		 5kb5A-3looA:
51.09
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.
3lrk ALPHA-GALACTOSIDASE
1

(Saccharomyces
cerevisiae) 		PF16499
(Melibiase_2) 		5 LEU A  50
GLY A  33
ALA A  53
LEU A 103
GLY A 293
 None
 0.77A 5kb5A-3lrkA:
undetectable		 5kb5A-3lrkA:
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		6 GLY A 323
ASN A  61
ALA A 342
LEU A 363
ASN A 330
GLY A 333
 None
 1.34A 5kb5A-3lscA:
undetectable		 5kb5A-3lscA:
21.38
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) 		10 ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
CYH A 123
ALA A 136
LEU A 138
PHE A 169
ASP A 299
 AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
AP5  A 346 (-3.5A)
None
AP5  A 346 (-3.4A)
AP5  A 346 ( 3.2A)
 0.24A 5kb5A-3otxA:
50.2		 5kb5A-3otxA:
41.67
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.
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
 0.44A 5kb5A-3pl2A:
31.8		 5kb5A-3pl2A:
26.53
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
GLY A  38
CYH A  92
ASP A 251
 None
 0.65A 5kb5A-3q1yA:
25.7		 5kb5A-3q1yA:
23.48
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 GLY A  37
GLY A  38
CYH A  92
GLY A 248
ASP A 251
 None
 0.91A 5kb5A-3q1yA:
25.7		 5kb5A-3q1yA:
23.48
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.
3rpd METHIONINE SYNTHASE
(B12-INDEPENDENT)

(Shewanella sp.
W3-18-1) 		PF01717
(Meth_synt_2) 		5 LEU A 308
GLY A 285
ASN A 321
ALA A 307
LEU A 316
 None
 1.00A 5kb5A-3rpdA:
undetectable		 5kb5A-3rpdA:
21.18
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		7 ASP A  15
LEU A  37
GLY A  58
GLY A  59
ASN A  63
GLY A 275
ASP A 278
 ADN  A 353 (-2.8A)
None
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.7A)
ADN  A 353 (-3.3A)
 0.44A 5kb5A-3uboA:
42.0		 5kb5A-3uboA:
26.85
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 LEU A1220
GLY A1252
ALA A1219
LEU A1182
GLY A1150
 None
 0.92A 5kb5A-3ummA:
undetectable		 5kb5A-3ummA:
13.69
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) 		10 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 138
PHE A 169
ASN A 298
GLY A 299
ASP A 302
 ADN  A 401 (-2.7A)
None
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-4.9A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 0.33A 5kb5A-3vasA:
50.6		 5kb5A-3vasA:
39.53
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.
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)
 0.37A 5kb5A-4b8sA:
23.3		 5kb5A-4b8sA:
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		8 ASP A  13
LEU A  35
GLY A  56
GLY A  57
ASN A  61
LEU A 129
GLY A 273
ASP A 276
 ADN  A 500 (-2.7A)
None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
None
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 0.49A 5kb5A-4e3aA:
42.5		 5kb5A-4e3aA:
29.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 ASP A  13
LEU A 129
ASN A  61
GLY A 273
ASP A 276
 ADN  A 500 (-2.7A)
None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 0.98A 5kb5A-4e3aA:
42.5		 5kb5A-4e3aA:
29.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		5 ASP A  29
GLY A  58
GLY A  59
GLY A 267
ASP A 270
 M7B  A 502 (-2.9A)
M7B  A 502 (-3.4A)
M7B  A 502 (-3.6A)
M7B  A 502 (-3.7A)
M7B  A 502 (-3.1A)
 0.68A 5kb5A-4e84A:
26.5		 5kb5A-4e84A:
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.
4eb5 PROBABLE CYSTEINE
DESULFURASE 2

(Archaeoglobus
fulgidus) 		PF00266
(Aminotran_5) 		5 LEU A 308
ASN A 290
ALA A 315
LEU A 346
GLY A 351
 None
 0.92A 5kb5A-4eb5A:
undetectable		 5kb5A-4eb5A:
22.43
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.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Brucella
melitensis) 		no annotation 5 LEU D 476
GLY D 160
ALA D 167
LEU D 340
GLY D 276
 None
 0.99A 5kb5A-4em6D:
2.5		 5kb5A-4em6D:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.40A 5kb5A-4gm6A:
28.9		 5kb5A-4gm6A:
25.51
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.
4hum MULTIDRUG EFFLUX
PROTEIN

(Neisseria
gonorrhoeae) 		PF01554
(MatE) 		5 LEU A 183
GLY A 199
GLY A 198
ALA A 205
GLY A  49
 None
 1.07A 5kb5A-4humA:
undetectable		 5kb5A-4humA:
20.85
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 GLY D 190
GLY D 189
ALA D 352
LEU D 409
GLY D  82
 None
 0.94A 5kb5A-4jrmD:
undetectable		 5kb5A-4jrmD:
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.
4k3j HEPATOCYTE GROWTH
FACTOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 565
GLY A 520
GLY A 521
ALA A 546
LEU A 548
 None
 0.84A 5kb5A-4k3jA:
undetectable		 5kb5A-4k3jA:
19.19
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.
4mgg MUCONATE LACTONIZING
ENZYME

(Labrenzia
aggregata) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 106
ALA A 275
LEU A 307
ASN A  88
GLY A  85
 None
 1.01A 5kb5A-4mggA:
undetectable		 5kb5A-4mggA:
23.67
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 ASP A  48
LEU A 100
GLY A 151
ALA A  99
GLY A  76
 None
None
FDA  A 801 (-4.5A)
None
None
 1.03A 5kb5A-4mifA:
3.2		 5kb5A-4mifA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nen INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A  86
GLY A  45
GLY A  46
ALA A  88
GLY A  17
 None
 0.92A 5kb5A-4nenA:
undetectable		 5kb5A-4nenA:
15.97
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  47
GLY A  48
ASN A  52
ALA A 100
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
None
 0.98A 5kb5A-4pvvA:
27.5		 5kb5A-4pvvA:
22.70
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.
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)
 0.55A 5kb5A-4pvvA:
27.5		 5kb5A-4pvvA:
22.70
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.
4qfh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Trypanosoma
cruzi) 		PF00342
(PGI) 		5 LEU A 535
GLY A 212
ALA A 219
LEU A 399
GLY A 335
 None
 1.00A 5kb5A-4qfhA:
undetectable		 5kb5A-4qfhA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 GLY A 316
GLY A 315
ALA A 263
PHE A 423
GLY A 236
 FAD  A 902 (-3.1A)
None
None
None
FAD  A 902 (-3.5A)
 0.90A 5kb5A-4qi6A:
2.7		 5kb5A-4qi6A:
18.56
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 GLY A  29
GLY A  30
ASN A  34
GLY A 246
ASP A 249
 None
None
None
ANP  A 401 (-3.3A)
ANP  A 401 ( 4.3A)
 0.50A 5kb5A-4wjmA:
29.4		 5kb5A-4wjmA:
27.68
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 LEU A 162
GLY A  29
GLY A  30
ASN A  34
ASP A 249
 None
None
None
None
ANP  A 401 ( 4.3A)
 0.95A 5kb5A-4wjmA:
29.4		 5kb5A-4wjmA:
27.68
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.
5awp ISOMALTODEXTRANASE

(Arthrobacter
globiformis) 		no annotation 5 LEU A 582
GLY A 303
ASN A 302
ALA A 515
LEU A 584
 None
 0.82A 5kb5A-5awpA:
undetectable		 5kb5A-5awpA:
22.57
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 ASP A  27
GLY A  52
GLY A  53
ASN A  57
ASP A 269
 None
None
None
None
NA  A 403 ( 4.7A)
 0.54A 5kb5A-5c41A:
31.2		 5kb5A-5c41A:
27.18
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.18A 5kb5A-5c41A:
31.2		 5kb5A-5c41A:
27.18
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		5 GLY A 292
ALA A 266
LEU A 258
GLY A 150
ASP A 110
 None
None
None
None
ZN  A 701 (-2.5A)
 0.83A 5kb5A-5ebbA:
undetectable		 5kb5A-5ebbA:
22.37
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.
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
 0.45A 5kb5A-5ey7A:
30.6		 5kb5A-5ey7A:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		5 GLY A 289
ALA A 263
LEU A 255
GLY A 147
ASP A 107
 None
None
None
None
ZN  A 502 ( 2.7A)
 0.85A 5kb5A-5fcaA:
2.0		 5kb5A-5fcaA:
20.64
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.
5i85 SPHINGOMYELIN
PHOSPHODIESTERASE

(Homo sapiens) 		PF00149
(Metallophos) 		5 LEU A 369
GLY A 364
GLY A 365
ALA A 357
LEU A 353
 None
 1.04A 5kb5A-5i85A:
2.1		 5kb5A-5i85A:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 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)
 0.42A 5kb5A-5o0jA:
24.5		 5kb5A-5o0jA:
14.79
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ASP A  28
GLY A 106
ALA A 201
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
None
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.54A 5kb5A-5od2A:
23.5		 5kb5A-5od2A:
15.24
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.
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)
 0.42A 5kb5A-5od2A:
23.5		 5kb5A-5od2A:
15.24
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ASP A 442
GLY A 439
ALA A 274
GLY A 106
ASP A  28
 GLC  A 501 ( 2.6A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 4.3A)
GLC  A 501 (-3.2A)
GLC  A 501 (-2.7A)
 0.71A 5kb5A-5od2A:
23.5		 5kb5A-5od2A:
15.24
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.
5oex -

(-) 		no annotation 5 ASP A 220
LEU A 331
ALA A 312
LEU A 289
GLY A 282
 None
None
None
IOD  A 607 ( 4.9A)
None
 1.03A 5kb5A-5oexA:
undetectable		 5kb5A-5oexA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5thz CURJ

(Moorea
producens) 		no annotation 5 LEU B 134
GLY B 209
PHE B 157
GLY B 205
ASP B 230
 None
SAH  B 501 ( 4.6A)
None
SAH  B 501 (-3.5A)
SAH  B 501 (-2.7A)
 0.85A 5kb5A-5thzB:
2.9		 5kb5A-5thzB:
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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 5 LEU A 476
GLY A 161
ALA A 168
LEU A 341
GLY A 277
 None
 0.96A 5kb5A-6bzcA:
undetectable		 5kb5A-6bzcA:
16.13
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.
6cn1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
putida) 		no annotation 5 LEU A 269
GLY A 289
GLY A 249
ALA A 274
LEU A 285
 None
 0.96A 5kb5A-6cn1A:
undetectable		 5kb5A-6cn1A:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.43A 5kb5A-6cw5A:
31.7		 5kb5A-6cw5A:
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.
6esd FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA

(Chromobacterium
violaceum) 		no annotation 5 LEU B  24
GLY B  11
ALA B  20
LEU B  34
GLY B  44
 None
FAD  B 501 (-3.5A)
None
None
None
 0.94A 5kb5A-6esdB:
2.4		 5kb5A-6esdB:
12.72