SIMILAR PATTERNS OF AMINO ACIDS FOR 3VAQ_B_ADNB401_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		5 ILE A 259
LEU A 262
LEU A 274
GLY A 252
ASP A 251
 None
 1.06A 3vaqB-1cvmA:
undetectable		 3vaqB-1cvmA:
23.33
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 ASN A  20
ASP A  24
GLY A  69
ASN A  73
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 (-2.9A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
 0.62A 3vaqB-1dgmA:
41.0		 3vaqB-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) 		8 ASP A  24
LEU A  46
GLY A  69
ASN A  73
THR A 140
LEU A 142
GLY A 315
ASP A 318
 ADN  A 375 (-2.9A)
None
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)
 0.72A 3vaqB-1dgmA:
41.0		 3vaqB-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.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Streptomyces
avermitilis) 		PF00903
(Glyoxalase) 		5 LEU A  89
GLY A  53
ASN A  56
THR A  76
GLY A 166
 None
 1.12A 3vaqB-1t47A:
undetectable		 3vaqB-1t47A:
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		6 ASP A  16
GLY A  31
ALA A  32
ASN A  35
GLY A 249
ASP A 252
 AIS  A 402 (-2.5A)
AIS  A 402 (-3.8A)
AIS  A 402 ( 4.2A)
AIS  A 402 (-3.9A)
AIS  A 402 ( 4.5A)
AIS  A 402 (-3.0A)
 0.42A 3vaqB-1tz6A:
29.6		 3vaqB-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.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		5 ILE A 985
LEU A 771
GLY A 534
ASN A 380
GLY A 531
 None
 0.97A 3vaqB-1urjA:
undetectable		 3vaqB-1urjA:
15.50
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		7 LEU A 170
GLY A  34
ALA A  35
ASN A  38
LEU A 138
GLY A 248
ASP A 251
 None
 1.02A 3vaqB-1v19A:
31.7		 3vaqB-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.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		5 LEU A 169
GLY A  34
ASN A  38
GLY A 253
ASP A 256
 None
 1.04A 3vaqB-1wyeA:
30.6		 3vaqB-1wyeA:
22.64
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 0.35A 3vaqB-2abqA:
25.4		 3vaqB-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  33
ALA A  34
ASN A  37
LEU A 139
GLY A 277
ASP A 280
 None
 1.01A 3vaqB-2afbA:
29.3		 3vaqB-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) 		5 ASN A   8
ASP A  12
GLY A  40
GLY A 258
ASP A 261
 None
ACT  A 321 (-3.1A)
ACT  A 321 (-3.9A)
None
None
 1.02A 3vaqB-2ajrA:
24.5		 3vaqB-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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  40
ASN A  44
GLY A 258
ASP A 261
 ACT  A 321 (-3.1A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
None
 0.44A 3vaqB-2ajrA:
24.5		 3vaqB-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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  43
ALA A  44
ASN A  47
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.3A)
ADN  A1301 ( 4.1A)
ADN  A1301 (-3.4A)
ADN  A1301 (-2.9A)
 0.28A 3vaqB-2c49A:
27.6		 3vaqB-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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  43
ALA A  44
ASN A  47
GLY A 244
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.3A)
ADN  A1301 ( 4.1A)
ADN  A1301 (-3.4A)
None
 0.55A 3vaqB-2c49A:
27.6		 3vaqB-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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
ASN A  41
GLY A 252
ASP A 255
 None
None
None
ATP  A 411 (-3.6A)
ATP  A 411 (-4.1A)
 0.85A 3vaqB-2f02A:
24.2		 3vaqB-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.
2ffj CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF01937
(DUF89) 		5 ASP A 194
LEU A  11
GLY A 221
ASN A 248
GLY A 245
 None
None
None
None
SO4  A 291 (-3.4A)
 1.02A 3vaqB-2ffjA:
3.5		 3vaqB-2ffjA:
24.35
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.
2fjk FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Thermus
caldophilus) 		PF01116
(F_bP_aldolase) 		5 ILE A 189
LEU A 194
GLY A 209
ALA A 210
GLY A 233
 None
None
13P  A1063 (-3.0A)
None
None
 0.92A 3vaqB-2fjkA:
undetectable		 3vaqB-2fjkA:
22.48
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.
2hjs USG-1 PROTEIN
HOMOLOG

(Pseudomonas
aeruginosa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ILE A  94
LEU A 331
ALA A 105
LEU A 117
GLY A  98
 None
 1.00A 3vaqB-2hjsA:
4.6		 3vaqB-2hjsA:
22.74
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 ASN A  14
ASP A  18
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.52A 3vaqB-2i6bA:
42.1		 3vaqB-2i6bA:
36.10
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 ASN A  14
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 0.67A 3vaqB-2i6bA:
42.1		 3vaqB-2i6bA:
36.10
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 ASP A  18
LEU A  40
GLY A  64
ASN A  68
LEU A 138
ASP A 300
 None
89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
 0.62A 3vaqB-2i6bA:
42.1		 3vaqB-2i6bA:
36.10
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 LEU A  40
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 0.95A 3vaqB-2i6bA:
42.1		 3vaqB-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.
2iml HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF04289
(DUF447) 		5 LEU A  47
ALA A  64
ASN A  65
THR A  52
LEU A  56
 FMN  A 200 (-4.5A)
None
None
FMN  A 200 (-3.7A)
None
 1.04A 3vaqB-2imlA:
undetectable		 3vaqB-2imlA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 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 ASP A  12
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 0.72A 3vaqB-2jg5A:
24.8		 3vaqB-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.
2ov9 HYPOTHETICAL PROTEIN

(Rhodococcus
jostii) 		PF03061
(4HBT) 		5 ILE A 192
GLY A 132
ALA A 135
VAL A 129
THR A 166
 None
 1.08A 3vaqB-2ov9A:
undetectable		 3vaqB-2ov9A:
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASP A  22
GLY A  44
ASN A  48
GLY A 269
ASP A 272
 None
None
None
None
PGE  A 332 (-3.6A)
 0.45A 3vaqB-2qcvA:
31.4		 3vaqB-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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 ILE G 101
LEU G 255
ALA G 129
LEU G 183
GLY G  62
 None
 0.97A 3vaqB-2uv8G:
undetectable		 3vaqB-2uv8G:
10.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		5 ASN A  62
LEU A 689
ASN A  92
VAL A 697
LEU A  73
 None
 0.91A 3vaqB-2v26A:
undetectable		 3vaqB-2v26A:
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.
2w4f PROTEIN LAP4

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A 740
LEU A 780
GLY A 773
ALA A 772
GLY A 767
 None
 0.93A 3vaqB-2w4fA:
undetectable		 3vaqB-2w4fA:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y93 CIS-2,3-DIHYDROBIPHE
NYL-2,3-DIOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF00106
(adh_short) 		5 GLY A 185
ASN A 143
THR A 189
LEU A 225
GLY A 150
 None
 1.09A 3vaqB-2y93A:
6.4		 3vaqB-2y93A:
22.25
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.
2z80 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 ILE A 165
LEU A 194
GLY A 157
ASN A 158
LEU A 179
 None
 1.12A 3vaqB-2z80A:
undetectable		 3vaqB-2z80A:
20.15
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.
2zba TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E

(Fusarium
sporotrichioides) 		PF02458
(Transferase) 		5 LEU A  25
ALA A 359
VAL A 371
LEU A 373
GLY A 364
 ZBA  A 463 (-4.3A)
None
None
ZBA  A 463 ( 4.6A)
None
 1.08A 3vaqB-2zbaA:
undetectable		 3vaqB-2zbaA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE

(Mesorhizobium
japonicum) 		PF01494
(FAD_binding_3) 		5 LEU A 151
GLY A  23
ALA A  22
LEU A  30
GLY A 157
 None
None
FAD  A 380 (-3.2A)
None
FAD  A 380 ( 3.8A)
 0.97A 3vaqB-3allA:
undetectable		 3vaqB-3allA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  48
ASN A  52
GLY A 250
ASP A 253
 AMP  A 501 (-2.9A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.4A)
AMP  A 501 (-2.8A)
 0.60A 3vaqB-3b1rA:
26.2		 3vaqB-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.
3c2q UNCHARACTERIZED
CONSERVED PROTEIN

(Methanococcus
maripaludis) 		no annotation 5 ILE A 124
GLY A 153
ALA A  81
THR A 104
GLY A 150
 None
 1.03A 3vaqB-3c2qA:
5.1		 3vaqB-3c2qA:
21.14
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  34
ALA A  35
ASN A  38
ASP A 247
 None
 0.39A 3vaqB-3ewmA:
29.9		 3vaqB-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) 		5 ASP A  13
GLY A  34
ALA A  35
ASN A  38
VAL A  90
 None
 0.54A 3vaqB-3ewmA:
29.9		 3vaqB-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) 		5 GLY A  34
ALA A  35
ASN A  38
LEU A 103
ASP A 247
 None
 0.92A 3vaqB-3ewmA:
29.9		 3vaqB-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) 		5 GLY A  34
ALA A  35
ASN A  38
LEU A 103
GLY A 244
 None
 1.07A 3vaqB-3ewmA:
29.9		 3vaqB-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) 		5 LEU A 167
ALA A  35
LEU A 103
GLY A 246
ASP A 247
 None
 1.11A 3vaqB-3ewmA:
29.9		 3vaqB-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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ASP A  25
GLY A  51
ASN A  55
GLY A 239
ASP A 242
 RIB  A 305 (-2.8A)
RIB  A 305 (-3.1A)
RIB  A 305 (-3.2A)
RIB  A 305 ( 4.5A)
RIB  A 305 (-2.9A)
 0.42A 3vaqB-3go7A:
26.5		 3vaqB-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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 GLY A  51
ASN A  55
VAL A 120
GLY A 239
ASP A 242
 RIB  A 305 (-3.1A)
RIB  A 305 (-3.2A)
None
RIB  A 305 ( 4.5A)
RIB  A 305 (-2.9A)
 1.03A 3vaqB-3go7A:
26.5		 3vaqB-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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 LEU A 398
GLY A 382
ALA A 381
LEU A 409
GLY A 379
 None
None
None
None
SO4  A 447 (-3.8A)
 1.04A 3vaqB-3ie1A:
2.2		 3vaqB-3ie1A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		5 ILE A 172
GLY A  42
ASN A  46
GLY A 257
ASP A 260
 None
None
None
NA  A 411 ( 4.9A)
None
 0.98A 3vaqB-3in1A:
30.0		 3vaqB-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) 		5 ILE A 202
GLY A 241
VAL A 145
LEU A 247
GLY A 236
 None
None
None
None
GOL  A 501 ( 3.2A)
 0.96A 3vaqB-3kd6A:
25.7		 3vaqB-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.
3lke ENOYL-COA HYDRATASE

(Bacillus
halodurans) 		PF00378
(ECH_1) 		5 ILE A 143
LEU A 251
GLY A 114
ASN A 118
LEU A  68
 None
 1.04A 3vaqB-3lkeA:
3.2		 3vaqB-3lkeA:
20.00
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.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 ASP A  90
LEU A 302
ASN A 150
THR A 304
GLY A 149
 FE  A 506 (-3.1A)
None
PO4  A 500 ( 2.4A)
None
None
 1.12A 3vaqB-3ll8A:
undetectable		 3vaqB-3ll8A:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		8 ASN A  14
ASP A  18
LEU A  40
GLY A  64
ASN A  68
LEU A 137
GLY A 297
ASP A 300
 B4P  A 349 ( 4.0A)
B4P  A 349 (-2.8A)
None
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
None
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
 0.44A 3vaqB-3looA:
47.1		 3vaqB-3looA:
38.34
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.
3loy COPPER AMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid) 		5 LEU A 281
GLY A 560
ALA A 559
GLY A 573
ASP A 569
 None
 1.06A 3vaqB-3loyA:
undetectable		 3vaqB-3loyA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 ASN A  65
ILE A 319
LEU A 275
LEU A 292
GLY A  78
 None
 1.09A 3vaqB-3nzpA:
undetectable		 3vaqB-3nzpA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 ASN A  65
ILE A 319
LEU A 275
VAL A 299
GLY A  78
 None
 0.95A 3vaqB-3nzpA:
undetectable		 3vaqB-3nzpA:
20.62
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) 		7 ASN A  13
ASP A  17
LEU A  39
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 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.44A 3vaqB-3otxA:
44.4		 3vaqB-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) 		5 ASP A  19
GLY A  41
ASN A  45
GLY A 261
ASP A 264
 None
 0.46A 3vaqB-3pl2A:
30.8		 3vaqB-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) 		5 ASN A   8
ASP A  12
GLY A  38
GLY A 248
ASP A 251
 None
 1.03A 3vaqB-3q1yA:
25.2		 3vaqB-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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		9 ASN A  11
ASP A  15
LEU A  37
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 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
None
ADN  A 353 (-3.7A)
ADN  A 353 (-3.3A)
 0.58A 3vaqB-3uboA:
38.6		 3vaqB-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)
 1.46A 3vaqB-3uboA:
38.6		 3vaqB-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.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		5 ASP A  64
LEU A 263
ASN A 124
THR A 265
GLY A 123
 MN  A 402 (-3.0A)
None
MN  A 401 (-2.7A)
None
None
 1.11A 3vaqB-3v4yA:
undetectable		 3vaqB-3v4yA:
21.43
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
ILE A  38
LEU A  40
GLY A  64
ALA A  65
ASN A  68
VAL A 123
THR A 136
LEU A 138
GLY A 299
ASP A 302
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.7A)
ADN  A 401 (-4.3A)
None
ADN  A 401 (-3.7A)
ADN  A 401 (-3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-4.5A)
ADN  A 401 (-3.1A)
ADN  A 401 (-4.9A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 0.26A 3vaqB-3vasA:
58.1		 3vaqB-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.
3wxb UNCHARACTERIZED
PROTEIN

(Gallus gallus) 		PF00106
(adh_short) 		5 LEU A  93
GLY A  13
ALA A  14
LEU A 127
GLY A  21
 None
NDP  A 300 (-3.2A)
None
None
None
 1.13A 3vaqB-3wxbA:
6.7		 3vaqB-3wxbA:
25.81
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.
4cza NA+/H+ ANTIPORTER,
PUTATIVE

(Pyrococcus
abyssi) 		PF00999
(Na_H_Exchanger) 		5 ILE A 170
LEU A 385
GLY A 123
LEU A 118
GLY A 162
 None
 1.10A 3vaqB-4czaA:
undetectable		 3vaqB-4czaA:
24.68
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.
4du5 PFKB

(Polaromonas sp.
JS666) 		PF00294
(PfkB) 		5 GLY A  59
ALA A  60
ASN A  63
GLY A 282
ASP A 285
 CL  A 401 ( 3.8A)
CL  A 401 ( 4.3A)
None
None
None
 0.62A 3vaqB-4du5A:
30.4		 3vaqB-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.
4dvj PUTATIVE
ZINC-DEPENDENT
ALCOHOL
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 ILE A 269
GLY A 183
THR A 153
LEU A 149
GLY A 179
 None
 0.90A 3vaqB-4dvjA:
3.7		 3vaqB-4dvjA:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		9 ASN A   9
ASP A  13
LEU A  35
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 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
None
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 0.51A 3vaqB-4e3aA:
39.0		 3vaqB-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)
 1.39A 3vaqB-4e3aA:
39.0		 3vaqB-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.
4f0s 5-METHYLTHIOADENOSIN
E/S-ADENOSYLHOMOCYST
EINE DEAMINASE

(Chromobacterium
violaceum) 		PF01979
(Amidohydro_1) 		5 GLY A 299
ALA A 298
VAL A 302
THR A 275
LEU A 273
 None
 0.87A 3vaqB-4f0sA:
undetectable		 3vaqB-4f0sA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f41 PROTELOMERASE

(Agrobacterium
fabrum) 		PF16684
(Telomere_res) 		5 LEU A 342
GLY A 323
THR A 338
LEU A 242
GLY A 328
 None
 1.05A 3vaqB-4f41A:
undetectable		 3vaqB-4f41A:
22.33
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		6 LEU A 172
ALA A  35
ASN A  38
LEU A 140
GLY A 267
ASP A 270
 None
GOL  A 401 (-3.9A)
GOL  A 401 (-4.4A)
None
GOL  A 401 ( 4.5A)
GOL  A 401 (-3.0A)
 1.02A 3vaqB-4gm6A:
28.1		 3vaqB-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
ALA A  35
ASN A  38
GLY A 267
ASP A 270
 None
GOL  A 401 (-3.7A)
GOL  A 401 (-3.9A)
GOL  A 401 (-4.4A)
GOL  A 401 ( 4.5A)
GOL  A 401 (-3.0A)
 0.82A 3vaqB-4gm6A:
28.1		 3vaqB-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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ASN A 124
ILE A  53
LEU A 100
LEU A 126
GLY A 114
 None
None
None
None
NDP  A 201 (-3.3A)
 1.09A 3vaqB-4h96A:
undetectable		 3vaqB-4h96A:
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.
4htg PORPHOBILINOGEN
DEAMINASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		5 ILE A  15
LEU A  34
GLY A 214
THR A  30
LEU A 231
 None
 0.99A 3vaqB-4htgA:
undetectable		 3vaqB-4htgA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 ILE A 253
GLY A 174
THR A 150
LEU A 146
GLY A 170
 None
None
None
EDO  A 405 (-4.3A)
None
 0.89A 3vaqB-4idaA:
3.8		 3vaqB-4idaA:
22.14
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.
4il1 CALMODULIN,
CALCINEURIN SUBUNIT
B TYPE 1,
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Rattus
norvegicus) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		5 ASP A 423
LEU A 635
ASN A 483
THR A 637
GLY A 482
 None
 1.08A 3vaqB-4il1A:
undetectable		 3vaqB-4il1A:
20.00
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.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 ASP A  99
LEU A 311
ASN A 159
THR A 313
GLY A 158
 FE  A 602 ( 4.1A)
None
ZN  A 601 (-3.2A)
None
None
 1.10A 3vaqB-4oraA:
undetectable		 3vaqB-4oraA:
22.67
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.
4orb SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Mus musculus) 		PF00149
(Metallophos) 		5 ASP A  90
LEU A 302
ASN A 150
THR A 304
GLY A 149
 FE  A 602 ( 3.4A)
None
ZN  A 601 (-2.7A)
None
None
 1.06A 3vaqB-4orbA:
undetectable		 3vaqB-4orbA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 ILE A 157
LEU A 146
GLY A 109
THR A 142
GLY A 160
 None
None
2F6  A 301 (-3.6A)
None
None
 0.89A 3vaqB-4p58A:
4.9		 3vaqB-4p58A:
20.53
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ASP A  12
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 (-3.8A)
HO4  A 401 ( 4.3A)
HO4  A 401 (-3.3A)
 0.61A 3vaqB-4pvvA:
27.2		 3vaqB-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.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		5 ASN A 166
ILE A  94
LEU A  91
VAL A 163
ASP A 137
 None
 1.10A 3vaqB-4twlA:
undetectable		 3vaqB-4twlA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 ASP A  11
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)
 0.55A 3vaqB-4wjmA:
29.2		 3vaqB-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) 		5 LEU A 162
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)
 0.91A 3vaqB-4wjmA:
29.2		 3vaqB-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.
4zti POLYMERASE COFACTOR
VP35,NUCLEOPROTEIN

(Zaire
ebolavirus) 		PF02097
(Filo_VP35)
PF05505
(Ebola_NP) 		5 ASP A 226
GLY A 148
ALA A 147
ASN A 146
LEU A 214
 None
 0.93A 3vaqB-4ztiA:
undetectable		 3vaqB-4ztiA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 353
GLY A 265
LEU A 349
GLY A 181
ASP A 182
 None
 0.93A 3vaqB-5b7iA:
undetectable		 3vaqB-5b7iA:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 ASP A  27
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)
 0.48A 3vaqB-5c41A:
31.9		 3vaqB-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.
5ce5 TRIACYLGLYCEROL
LIPASE

(Geobacillus
thermocatenulatus) 		no annotation 5 LEU A 171
ALA A 163
THR A 169
LEU A 300
GLY A 117
 P15  A 403 ( 4.2A)
None
P15  A 403 ( 4.4A)
None
None
 1.12A 3vaqB-5ce5A:
undetectable		 3vaqB-5ce5A:
19.41
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.
5d0n PYRUVATE, PHOSPHATE
DIKINASE REGULATORY
PROTEIN,
CHLOROPLASTIC

(Zea mays) 		PF03618
(Kinase-PPPase) 		5 ILE A 140
LEU A 159
GLY A 137
LEU A 166
GLY A 198
 None
 1.09A 3vaqB-5d0nA:
undetectable		 3vaqB-5d0nA:
23.08
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.
5de0 DEFERROCHELATASE

(Vibrio cholerae) 		PF04261
(Dyp_perox) 		5 ILE A 228
VAL A 217
LEU A 260
GLY A 145
ASP A 144
 HEM  A 401 ( 4.7A)
HEM  A 401 (-4.3A)
HEM  A 401 ( 4.5A)
HEM  A 401 (-3.2A)
HEM  A 401 ( 4.7A)
 1.04A 3vaqB-5de0A:
undetectable		 3vaqB-5de0A:
21.12
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		7 ASP A  30
GLY A  45
ALA A  46
ASN A  49
VAL A 101
GLY A 263
ASP A 266
 None
 0.59A 3vaqB-5ey7A:
29.9		 3vaqB-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.
5hhl RETRON-TYPE REVERSE
TRANSCRIPTASE

([Eubacterium]
rectale) 		PF00078
(RVT_1) 		5 ILE A  90
GLY A  48
THR A  86
LEU A  40
GLY A  53
 None
 1.04A 3vaqB-5hhlA:
undetectable		 3vaqB-5hhlA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1l TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 ILE A 205
LEU A 220
ALA A 184
LEU A 251
GLY A 188
 None
 1.12A 3vaqB-5j1lA:
undetectable		 3vaqB-5j1lA:
24.13
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.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE

(Corynebacterium
glutamicum) 		PF02446
(Glyco_hydro_77) 		5 ILE A 531
LEU A 562
THR A 559
GLY A 528
ASP A 509
 None
 1.03A 3vaqB-5jjhA:
3.1		 3vaqB-5jjhA:
18.19
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.
5jpe SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Candida
albicans) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		5 ASP A 229
LEU A 428
ASN A 289
THR A 430
GLY A 288
 FLC  A 501 (-3.1A)
None
FLC  A 501 (-3.1A)
None
None
 1.12A 3vaqB-5jpeA:
undetectable		 3vaqB-5jpeA:
22.50
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.
5kuf GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ILE A 449
LEU A 451
GLY A 430
THR A 406
LEU A 408
 None
 0.93A 3vaqB-5kufA:
3.5		 3vaqB-5kufA:
17.59
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.
5nv6 TRANSFORMING GROWTH
FACTOR-BETA-INDUCED
PROTEIN IG-H3

(Homo sapiens) 		PF02469
(Fasciclin) 		5 ASP A 356
LEU A 312
VAL A 363
THR A 276
LEU A 278
 None
 1.07A 3vaqB-5nv6A:
undetectable		 3vaqB-5nv6A:
19.53
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.
5t98 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ILE A 244
GLY A 211
THR A 297
LEU A 295
GLY A 271
 None
 1.09A 3vaqB-5t98A:
undetectable		 3vaqB-5t98A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5upy INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Listeria
monocytogenes) 		PF00478
(IMPDH) 		5 ASP A 251
ILE A 339
GLY A  50
ALA A  49
VAL A 249
 None
None
None
IMP  A 500 (-3.4A)
None
 0.92A 3vaqB-5upyA:
undetectable		 3vaqB-5upyA:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uuw INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH) 		5 ASP A 251
ILE A 339
GLY A  50
ALA A  49
VAL A 249
 None
None
None
IMP  A 501 (-3.2A)
None
 1.08A 3vaqB-5uuwA:
undetectable		 3vaqB-5uuwA:
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.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 5 LEU A 527
GLY A 476
THR A 526
LEU A 473
GLY A 488
 None
 1.06A 3vaqB-5xpgA:
undetectable		 3vaqB-5xpgA:
11.05
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 LEU A 209
GLY A 169
THR A 202
LEU A 176
GLY A 193
 None
None
None
None
LLP  A  63 ( 3.5A)
 1.01A 3vaqB-5ybwA:
undetectable		 3vaqB-5ybwA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6arr ACETYL-COA
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		no annotation 5 ILE A   9
LEU A 364
GLY A 102
ALA A 103
LEU A  96
 None
 1.07A 3vaqB-6arrA:
undetectable		 3vaqB-6arrA:
11.94
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 5 ASP A  16
GLY A  42
ASN A  46
GLY A 270
ASP A 273
 GOL  A 400 (-2.8A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
None
None
 0.49A 3vaqB-6cw5A:
29.1		 3vaqB-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.
6dfu TRYPTOPHAN--TRNA
LIGASE

(Haemophilus
influenzae) 		no annotation 5 ASN A  20
GLY A  23
ALA A  24
ASN A  27
GLY A 180
 None
 1.09A 3vaqB-6dfuA:
undetectable		 3vaqB-6dfuA:
12.05