SIMILAR PATTERNS OF AMINO ACIDS FOR 3VAS_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a5i PLASMINOGEN
ACTIVATOR


(Desmodus
rotundus)
PF00089
(Trypsin)
5 LEU A  64
GLY A 197
GLY A 196
LEU A 106
GLY A 142
None
1.01A 3vasA-1a5iA:
undetectable
3vasA-1a5iA:
19.73
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.
1cwv INVASIN

(Yersinia
pseudotuberculosis)
PF02369
(Big_1)
PF07979
(Intimin_C)
PF09134
(Invasin_D3)
5 ILE A 750
LEU A 721
GLY A 715
GLY A 766
ASN A 767
None
0.89A 3vasA-1cwvA:
undetectable
3vasA-1cwvA:
20.63
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 ASN A  20
ASP A  24
GLY A  68
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 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ACY  A 370 (-3.1A)
ADN  A 375 ( 3.1A)
0.64A 3vasA-1dgmA:
41.4
3vasA-1dgmA:
31.22
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)
9 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 (-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)
0.72A 3vasA-1dgmA:
41.4
3vasA-1dgmA:
31.22
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92)
PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C)
5 ILE A 112
GLY A 144
ASN A 119
LEU A 170
GLY A 476
None
CA  A 700 (-3.9A)
CA  A 700 (-2.9A)
None
None
1.05A 3vasA-1h3gA:
undetectable
3vasA-1h3gA:
19.70
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.
1j1w ISOCITRATE
DEHYDROGENASE


(Azotobacter
vinelandii)
PF03971
(IDH)
5 ASN A  79
ILE A 568
GLY A 574
GLY A 575
GLY A 141
None
0.90A 3vasA-1j1wA:
undetectable
3vasA-1j1wA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE


(Comamonas
testosteroni)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3)
5 ILE A 192
LEU A 288
GLY A 262
GLY A 242
GLY A 182
None
None
None
None
PQQ  A1800 (-3.2A)
0.87A 3vasA-1kb0A:
undetectable
3vasA-1kb0A:
19.47
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.
1kj9 PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE 2


(Escherichia
coli)
PF02222
(ATP-grasp)
5 ASP A 213
ILE A 315
GLY A 214
VAL A 312
LEU A 263
None
1.01A 3vasA-1kj9A:
3.6
3vasA-1kj9A:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pgj 6-PHOSPHOGLUCONATE
DEHYDROGENASE


(Trypanosoma
brucei)
PF00393
(6PGD)
PF03446
(NAD_binding_2)
5 ASN A 175
LEU A 348
GLY A 146
GLY A 145
LEU A 359
None
1.05A 3vasA-1pgjA:
undetectable
3vasA-1pgjA:
20.68
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.
1q51 MENB

(Mycobacterium
tuberculosis)
PF00378
(ECH_1)
5 ILE A 143
LEU A  73
GLY A 161
GLY A 162
GLY A 196
None
None
CAA  A 501 (-3.3A)
None
None
1.06A 3vasA-1q51A:
3.7
3vasA-1q51A:
22.73
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.
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)
0.34A 3vasA-1rk2A:
33.0
3vasA-1rk2A:
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.
1txk GLUCANS BIOSYNTHESIS
PROTEIN G


(Escherichia
coli)
PF04349
(MdoG)
5 ILE A 385
LEU A 250
GLY A 161
VAL A 159
LEU A 168
None
1.01A 3vasA-1txkA:
undetectable
3vasA-1txkA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3vasA-1tz6A:
31.2
3vasA-1tz6A:
27.71
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.
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 3vasA-1ua4A:
24.4
3vasA-1ua4A:
23.09
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.
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
1.05A 3vasA-1urjA:
undetectable
3vasA-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)
6 LEU A 170
GLY A  33
GLY A  34
ASN A  38
GLY A 248
ASP A 251
None
0.83A 3vasA-1v19A:
28.4
3vasA-1v19A:
24.94
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.
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
1.07A 3vasA-1v19A:
28.4
3vasA-1v19A:
24.94
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.
1v3t LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE/PROSTAGLANDIN
15-KETO REDUCTASE


(Cavia porcellus)
PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2)
5 ILE A 296
LEU A 287
GLY A 152
GLY A 155
THR A 121
None
None
NAP  A1350 (-3.3A)
None
None
1.01A 3vasA-1v3tA:
5.8
3vasA-1v3tA:
22.53
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT


(Acetoanaerobium
sticklandii)
PF09043
(Lys-AminoMut_A)
5 ILE A 468
LEU A 473
GLY A 484
GLY A 483
THR A 476
None
0.97A 3vasA-1xrsA:
undetectable
3vasA-1xrsA:
22.79
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.
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
0.38A 3vasA-2abqA:
26.1
3vasA-2abqA:
24.43
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.
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
0.92A 3vasA-2afbA:
27.4
3vasA-2afbA:
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.
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
1.04A 3vasA-2afbA:
27.4
3vasA-2afbA:
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.
2ajr SUGAR KINASE, PFKB
FAMILY


(Thermotoga
maritima)
PF00294
(PfkB)
5 ASN A   8
ASP A  12
GLY A  39
GLY A  40
GLY A 258
None
ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
None
0.90A 3vasA-2ajrA:
24.9
3vasA-2ajrA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.42A 3vasA-2ajrA:
24.9
3vasA-2ajrA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii)
PF00294
(PfkB)
5 ASP A  17
GLY A  42
GLY A  43
ASN A  47
ASP A 247
ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
ADN  A1301 (-2.9A)
0.32A 3vasA-2c49A:
28.9
3vasA-2c49A:
25.39
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.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii)
PF00294
(PfkB)
5 ASP A  17
GLY A  42
GLY A  43
ASN A  47
GLY A 244
ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
None
0.50A 3vasA-2c49A:
28.9
3vasA-2c49A:
25.39
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)
7 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
0.53A 3vasA-2i6bA:
41.7
3vasA-2i6bA:
36.29
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
0.68A 3vasA-2i6bA:
41.7
3vasA-2i6bA:
36.29
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)
7 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 138
ASP A 300
None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
0.62A 3vasA-2i6bA:
41.7
3vasA-2i6bA:
36.29
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
1.03A 3vasA-2i6bA:
41.7
3vasA-2i6bA:
36.29
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.
2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY


(Porphyromonas
gingivalis)
PF00588
(SpoU_methylase)
5 LEU A 166
GLY A 134
GLY A 107
THR A 162
LEU A 104
None
1.00A 3vasA-2i6dA:
2.7
3vasA-2i6dA:
21.64
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.
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
0.49A 3vasA-2jg5A:
25.4
3vasA-2jg5A:
22.65
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.
2nyp BETA-LACTAMASE II

(Bacillus cereus)
PF00753
(Lactamase_B)
5 ILE A 193
LEU A 226
GLY A 209
THR A 222
LEU A 178
None
None
ZN  A 302 ( 4.8A)
None
None
0.94A 3vasA-2nypA:
undetectable
3vasA-2nypA:
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.
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 3vasA-2qcvA:
32.2
3vasA-2qcvA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.03A 3vasA-2y93A:
6.2
3vasA-2y93A:
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.
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
0.94A 3vasA-2z84A:
undetectable
3vasA-2z84A:
17.38
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.
2zec TRYPTASE BETA 2

(Homo sapiens)
PF00089
(Trypsin)
5 LEU A  71
GLY A 211
GLY A 210
LEU A 110
GLY A 146
None
1.06A 3vasA-2zecA:
undetectable
3vasA-2zecA:
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.
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)
0.58A 3vasA-3b1rA:
27.4
3vasA-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
0.56A 3vasA-3b3lA:
27.1
3vasA-3b3lA:
23.24
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.
3cji POLYPROTEIN

(Senecavirus A)
PF00073
(Rhv)
no annotation
5 GLY A 197
GLY A 196
THR C 237
LEU C 141
GLY C 223
None
0.96A 3vasA-3cjiA:
undetectable
3vasA-3cjiA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 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
0.37A 3vasA-3ewmA:
31.1
3vasA-3ewmA:
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459


(Pyrococcus
horikoshii)
PF00294
(PfkB)
5 ASP A  13
GLY A  33
GLY A  34
ASN A  38
VAL A  90
None
0.45A 3vasA-3ewmA:
31.1
3vasA-3ewmA:
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459


(Pyrococcus
horikoshii)
PF00294
(PfkB)
6 GLY A  33
GLY A  34
ASN A  38
LEU A 103
GLY A 244
ASP A 247
None
0.90A 3vasA-3ewmA:
31.1
3vasA-3ewmA:
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459


(Pyrococcus
horikoshii)
PF00294
(PfkB)
5 LEU A 167
GLY A  33
GLY A  34
ASN A  38
VAL A  90
None
0.97A 3vasA-3ewmA:
31.1
3vasA-3ewmA:
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.
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)
0.39A 3vasA-3go7A:
27.5
3vasA-3go7A:
24.42
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.
3gre SERINE/THREONINE-PRO
TEIN KINASE VPS15


(Saccharomyces
cerevisiae)
no annotation 5 ASN A1347
ILE A1317
GLY A1295
GLY A1272
ASP A1273
None
0.97A 3vasA-3greA:
undetectable
3vasA-3greA:
23.46
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii)
PF00294
(PfkB)
5 ASP A  33
GLY A  54
GLY A  55
ASN A  59
ASP A 275
None
0.42A 3vasA-3hj6A:
29.1
3vasA-3hj6A:
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii)
PF00294
(PfkB)
5 LEU A 188
GLY A  54
GLY A  55
ASN A  59
ASP A 275
None
0.77A 3vasA-3hj6A:
29.1
3vasA-3hj6A:
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.
3i3a ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE


(Leptospira
interrogans)
PF00132
(Hexapep)
PF13720
(Acetyltransf_11)
5 ILE A 106
GLY A 138
GLY A 119
LEU A 130
GLY A  97
None
S2N  A 260 (-3.8A)
S2N  A 260 ( 3.8A)
None
None
1.01A 3vasA-3i3aA:
undetectable
3vasA-3i3aA:
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae)
PF00294
(PfkB)
5 ASP A  12
GLY A  37
GLY A  38
ASN A  42
THR A 107
None
0.71A 3vasA-3i3yA:
25.9
3vasA-3i3yA:
26.13
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae)
PF00294
(PfkB)
5 GLY A  37
GLY A  38
ASN A  42
GLY A 229
ASP A 232
None
0.59A 3vasA-3i3yA:
25.9
3vasA-3i3yA:
26.13
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.
3icq EXPORTIN-T

(Schizosaccharomyces
pombe)
PF08389
(Xpo1)
5 ILE T 920
LEU T 886
GLY T 872
GLY T 871
THR T 883
None
0.93A 3vasA-3icqT:
undetectable
3vasA-3icqT:
17.09
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH


(Escherichia
coli)
PF00294
(PfkB)
6 ILE A 172
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
0.87A 3vasA-3in1A:
30.6
3vasA-3in1A:
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.
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
0.34A 3vasA-3kzhA:
27.3
3vasA-3kzhA:
23.91
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.
3ll1 GRIFFITHSIN

(Griffithsia sp.
Q66D336)
PF01419
(Jacalin)
5 ILE A  63
LEU A 114
GLY A  87
GLY A  86
LEU A 111
None
0.82A 3vasA-3ll1A:
undetectable
3vasA-3ll1A:
16.62
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)
9 ASN A  14
ASP A  18
LEU A  40
GLY A  63
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 ( 3.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
None
B4P  A 349 (-2.9A)
B4P  A 349 (-3.4A)
0.32A 3vasA-3looA:
47.5
3vasA-3looA:
38.07
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens)
PF01979
(Amidohydro_1)
5 LEU A 441
GLY A 122
GLY A 121
VAL A 431
LEU A 116
None
0.99A 3vasA-3lscA:
undetectable
3vasA-3lscA:
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.
3lwf PUTATIVE
TRANSCRIPTIONAL
REGULATOR


(Listeria
innocua)
PF02082
(Rrf2)
5 ILE A  79
LEU A  83
GLY A  53
THR A  82
GLY A  69
None
1.03A 3vasA-3lwfA:
undetectable
3vasA-3lwfA:
19.77
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)
0.35A 3vasA-3otxA:
45.4
3vasA-3otxA:
30.81
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY


(Corynebacterium
glutamicum)
PF00294
(PfkB)
6 ASP A  19
GLY A  40
GLY A  41
ASN A  45
GLY A 261
ASP A 264
None
0.42A 3vasA-3pl2A:
31.4
3vasA-3pl2A:
24.53
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.
3pqu TRANSFERRIN BINDING
PROTEIN B


(Actinobacillus
suis)
PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A)
5 ASN A 541
ILE A 349
GLY A 553
GLY A 554
THR A 347
None
0.84A 3vasA-3pquA:
undetectable
3vasA-3pquA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1y LIN2199 PROTEIN

(Listeria
innocua)
PF00294
(PfkB)
5 ASN A   8
ASP A  12
GLY A  37
GLY A  38
GLY A 248
None
0.93A 3vasA-3q1yA:
25.5
3vasA-3q1yA:
23.62
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua)
PF00294
(PfkB)
5 ASP A  12
GLY A  37
GLY A  38
GLY A 248
ASP A 251
None
0.60A 3vasA-3q1yA:
25.5
3vasA-3q1yA:
23.62
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.
3qfk UNCHARACTERIZED
PROTEIN


(Staphylococcus
aureus)
PF00149
(Metallophos)
PF02872
(5_nucleotid_C)
5 ASP A  56
ILE A 151
GLY A  55
LEU A 103
GLY A 192
MN  A 513 ( 2.7A)
None
None
None
None
1.03A 3vasA-3qfkA:
undetectable
3vasA-3qfkA:
22.26
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.
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
0.57A 3vasA-3ry7A:
27.6
3vasA-3ry7A:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tjr SHORT CHAIN
DEHYDROGENASE


(Mycobacterium
avium)
PF00106
(adh_short)
5 ASN A 181
ILE A 142
LEU A 130
GLY A   3
LEU A 134
None
0.82A 3vasA-3tjrA:
6.4
3vasA-3tjrA:
22.13
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.
3tv2 FUMARATE HYDRATASE,
CLASS II


(Burkholderia
pseudomallei)
PF00206
(Lyase_1)
PF10415
(FumaraseC_C)
5 ILE A 191
GLY A 369
GLY A 368
THR A 286
GLY A 277
None
1.00A 3vasA-3tv2A:
undetectable
3vasA-3tv2A:
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.
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)
0.54A 3vasA-3uboA:
40.0
3vasA-3uboA:
25.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
1.39A 3vasA-3uboA:
40.0
3vasA-3uboA:
25.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.06A 3vasA-3v4yA:
undetectable
3vasA-3v4yA:
20.97
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.
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)
0.41A 3vasA-4b8sA:
21.2
3vasA-4b8sA:
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.
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)
0.43A 3vasA-4e3aA:
40.3
3vasA-4e3aA:
28.75
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)
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)
1.32A 3vasA-4e3aA:
40.3
3vasA-4e3aA:
28.75
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.
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 3vasA-4gm6A:
29.2
3vasA-4gm6A:
22.53
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.
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
0.96A 3vasA-4htgA:
undetectable
3vasA-4htgA:
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.
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
1.02A 3vasA-4il1A:
undetectable
3vasA-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.
4il5 CYSTEINE SYNTHASE

(Entamoeba
histolytica)
PF00291
(PALP)
5 ASN A  88
ILE A 106
GLY A  62
THR A  85
GLY A  97
LLP  A  58 (-3.9A)
None
LLP  A  58 ( 3.8A)
ILE  A 401 (-4.2A)
None
1.00A 3vasA-4il5A:
3.2
3vasA-4il5A:
22.91
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.
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
1.04A 3vasA-4oraA:
undetectable
3vasA-4oraA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 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
1.01A 3vasA-4orbA:
undetectable
3vasA-4orbA:
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.
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)
0.61A 3vasA-4pvvA:
28.0
3vasA-4pvvA:
23.15
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.
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)
0.57A 3vasA-4wjmA:
30.0
3vasA-4wjmA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
0.89A 3vasA-4wjmA:
30.0
3vasA-4wjmA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8f RIBOKINASE

(Vibrio cholerae)
PF00294
(PfkB)
5 ASP A  13
GLY A  38
GLY A  39
ASN A  43
ASP A 252
None
0.57A 3vasA-4x8fA:
29.9
3vasA-4x8fA:
24.41
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.
4zb3 NUDIX HYDROLASE 7

(Arabidopsis
thaliana)
PF00293
(NUDIX)
5 ILE A  55
LEU A  38
GLY A  20
GLY A  52
LEU A  42
None
0.88A 3vasA-4zb3A:
undetectable
3vasA-4zb3A:
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.
4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2


(Mycolicibacterium
smegmatis)
PF03971
(IDH)
5 ASN A  81
ILE A 571
GLY A 577
GLY A 578
GLY A 143
None
1.01A 3vasA-4zdaA:
undetectable
3vasA-4zdaA:
19.07
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.
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
0.91A 3vasA-5b7iA:
undetectable
3vasA-5b7iA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 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)
0.47A 3vasA-5c41A:
32.9
3vasA-5c41A:
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.
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)
0.96A 3vasA-5de0A:
undetectable
3vasA-5de0A:
20.68
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.
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
0.56A 3vasA-5ey7A:
31.3
3vasA-5ey7A:
23.97
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.
5fyn PUUMALA VIRUS GN
GLYCOPROTEIN


(Puumala
orthohantavirus)
PF01567
(Hanta_G1)
5 ILE A 347
LEU A 338
GLY A 323
THR A 365
GLY A 351
None
0.81A 3vasA-5fynA:
undetectable
3vasA-5fynA:
21.10
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.
5it9 RIBOSOMAL PROTEIN
RACK1


(Kluyveromyces
lactis)
PF01092
(Ribosomal_S6e)
5 ASN g  18
ILE g  44
GLY g  19
THR g  42
GLY g 311
G  21406 ( 4.1A)
None
None
None
None
0.86A 3vasA-5it9g:
undetectable
3vasA-5it9g:
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.
5k6w PROTEIN SIDEKICK-1

(Mus musculus)
PF07679
(I-set)
PF13927
(Ig_3)
5 ILE A 284
GLY A 367
GLY A 366
ASN A 364
GLY A 314
None
1.03A 3vasA-5k6wA:
undetectable
3vasA-5k6wA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
0.49A 3vasA-5o0jA:
23.9
3vasA-5o0jA:
11.92
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.
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)
0.50A 3vasA-5od2A:
20.8
3vasA-5od2A:
14.20
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.
5xpg UNCHARACTERIZED
PROTEIN


(Thermus
thermophilus)
no annotation 5 LEU A 527
GLY A 476
THR A 526
LEU A 473
GLY A 488
None
1.03A 3vasA-5xpgA:
undetectable
3vasA-5xpgA:
11.11
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.
5xra CANNABINOID RECEPTOR
1,FLAVODOXIN,CANNABI
NOID RECEPTOR 1


(Desulfovibrio
vulgaris;
Homo sapiens)
PF00001
(7tm_1)
PF00258
(Flavodoxin_1)
5 ILE A1022
LEU A1054
GLY A1030
VAL A1033
LEU A1052
None
0.96A 3vasA-5xraA:
5.3
3vasA-5xraA:
22.55
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.
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)
1.04A 3vasA-5ybwA:
undetectable
3vasA-5ybwA:
13.66
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.
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
0.50A 3vasA-6cw5A:
30.7
3vasA-6cw5A:
12.60
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.
6fks -

(-)
no annotation 5 ILE A 230
VAL A 219
LEU A 262
GLY A 144
ASP A 143
HEM  A 301 ( 4.2A)
HEM  A 301 (-3.7A)
HEM  A 301 ( 4.2A)
GOL  A 303 (-2.9A)
GOL  A 303 ( 2.3A)
1.06A 3vasA-6fksA:
undetectable
3vasA-6fksA:
undetectable