SIMILAR PATTERNS OF AMINO ACIDS FOR 3VAS_A_ADNA401

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1et6 SUPERANTIGEN SMEZ-2

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 LEU A 135
ALA A 130
PHE A 172
ASN A 192
 None
 1.49A 3vasA-1et6A:
undetectable		 3vasA-1et6A:
23.65
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.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		4 LEU A 170
ALA A 121
PHE A 125
ASN A 136
 None
 1.39A 3vasA-1gegA:
6.7		 3vasA-1gegA:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		4 LEU A 153
ALA A 155
PHE A 238
ASN A 298
 None
 1.37A 3vasA-1js6A:
undetectable		 3vasA-1js6A:
23.05
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.
1o8u 6-OXO CAMPHOR
HYDROLASE

(Rhodococcus
erythropolis) 		PF00378
(ECH_1) 		4 LEU A 164
ALA A 184
PHE A 140
ASN A 191
 None
 0.98A 3vasA-1o8uA:
undetectable		 3vasA-1o8uA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oh9 ACETYLGLUTAMATE
KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		4 LEU A 142
ALA A  92
PHE A  24
ASN A  85
 None
 1.17A 3vasA-1oh9A:
undetectable		 3vasA-1oh9A:
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.
1pq4 PERIPLASMIC BINDING
PROTEIN COMPONENT OF
AN ABC TYPE ZINC
UPTAKE TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF01297
(ZnuA) 		4 LEU A 312
ALA A 327
PHE A 249
ASN A 334
 None
 1.48A 3vasA-1pq4A:
undetectable		 3vasA-1pq4A:
23.42
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.
1py5 TGF-BETA RECEPTOR
TYPE I

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		4 LEU A 288
ALA A 306
PHE A 408
ASN A 258
 None
 1.48A 3vasA-1py5A:
undetectable		 3vasA-1py5A:
21.13
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.
1tjy SUGAR TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF13407
(Peripla_BP_4) 		4 LEU A 225
ALA A 227
PHE A 158
ASN A 195
 None
 1.50A 3vasA-1tjyA:
4.6		 3vasA-1tjyA:
23.22
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.
1ttx ONCOMODULIN

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 LEU A  59
ALA A 100
PHE A  48
ASN A  92
 None
 1.28A 3vasA-1ttxA:
undetectable		 3vasA-1ttxA:
15.21
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.
1uyp BETA-FRUCTOSIDASE

(Thermotoga
maritima) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 LEU A  60
ALA A  63
PHE A  31
ASN A 112
 None
 1.39A 3vasA-1uypA:
undetectable		 3vasA-1uypA:
22.35
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.
1vdk FUMARATE HYDRATASE
CLASS II

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 LEU A  66
ALA A  56
PHE A 242
ASN A 108
 None
 1.45A 3vasA-1vdkA:
undetectable		 3vasA-1vdkA:
21.20
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.
1vki HYPOTHETICAL PROTEIN
ATU3699

(Agrobacterium
fabrum) 		PF04073
(tRNA_edit) 		4 LEU A 138
ALA A 111
PHE A 154
ASN A  51
 None
 1.47A 3vasA-1vkiA:
undetectable		 3vasA-1vkiA:
19.84
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.
1wwl MONOCYTE
DIFFERENTIATION
ANTIGEN CD14

(Mus musculus) 		no annotation 4 LEU A 180
ALA A 196
PHE A 166
ASN A 185
 None
 1.28A 3vasA-1wwlA:
undetectable		 3vasA-1wwlA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 LEU A 397
ALA A 390
PHE A 333
ASN A  91
 None
 1.27A 3vasA-1xc6A:
undetectable		 3vasA-1xc6A:
16.94
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.
2hh9 THIAMIN
PYROPHOSPHOKINASE

(Candida
albicans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 LEU A  54
ALA A 199
PHE A 228
ASN A 141
 None
 1.29A 3vasA-2hh9A:
undetectable		 3vasA-2hh9A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hqb TRANSCRIPTIONAL
ACTIVATOR OF COMK
GENE

(Bacillus
halodurans) 		PF02608
(Bmp) 		4 LEU A 240
ALA A 232
PHE A  62
ASN A  59
 None
 1.48A 3vasA-2hqbA:
4.8		 3vasA-2hqbA:
23.33
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.
2i80 D-ALANINE-D-ALANINE
LIGASE

(Staphylococcus
aureus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 LEU A  22
ALA A 315
PHE A 316
ASN A  29
 None
 1.36A 3vasA-2i80A:
undetectable		 3vasA-2i80A:
23.37
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.
2o2q FORMYLTETRAHYDROFOLA
TE DEHYDROGENASE

(Rattus
norvegicus) 		PF00171
(Aldedh) 		4 LEU A 680
ALA A 835
PHE A 859
ASN A 706
 None
None
None
GOL  A   1 (-3.3A)
 1.21A 3vasA-2o2qA:
3.9		 3vasA-2o2qA:
25.43
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		4 LEU A 130
ALA A 107
PHE A 109
ASN A 157
 None
 1.46A 3vasA-2qy1A:
undetectable		 3vasA-2qy1A:
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.
2r7y RIBONUCLEASE H

(Bacillus
halodurans) 		no annotation 4 LEU A 117
ALA A 165
PHE A 110
ASN A 170
 None
 1.28A 3vasA-2r7yA:
undetectable		 3vasA-2r7yA:
17.82
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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		4 LEU A 486
ALA A 510
PHE A 517
ASN A 469
 None
 1.34A 3vasA-2v5iA:
undetectable		 3vasA-2v5iA:
21.57
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 LEU A 586
ALA A 581
PHE A 573
ASN A 752
 None
 1.23A 3vasA-2vdcA:
undetectable		 3vasA-2vdcA:
14.32
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.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LEU A 364
ALA A 366
PHE A 217
ASN A 424
 None
 1.49A 3vasA-2yfhA:
undetectable		 3vasA-2yfhA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z3k LEUCYL/PHENYLALANYL-
TRNA-PROTEIN
TRANSFERASE

(Escherichia
coli) 		PF03588
(Leu_Phe_trans) 		4 LEU A 219
ALA A 148
PHE A 153
ASN A  92
 None
 1.24A 3vasA-2z3kA:
undetectable		 3vasA-2z3kA:
19.37
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.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 4 LEU C 172
ALA C 123
PHE C 127
ASN C 138
 None
 1.32A 3vasA-3a28C:
6.7		 3vasA-3a28C:
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.
3byv RHOPTRY KINASE

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		4 LEU A 384
ALA A 225
PHE A 219
ASN A 376
 None
 1.32A 3vasA-3byvA:
undetectable		 3vasA-3byvA:
22.36
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 LEU A  11
ALA A  64
PHE A 126
ASN A  68
 None
 1.25A 3vasA-3eshA:
undetectable		 3vasA-3eshA:
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.
3fes ATP-DEPENDENT CLP
ENDOPEPTIDASE

(Clostridioides
difficile) 		PF02861
(Clp_N) 		4 LEU A 136
ALA A 110
PHE A  93
ASN A 120
 None
 1.45A 3vasA-3fesA:
undetectable		 3vasA-3fesA:
19.08
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 LEU A 437
ALA A 421
PHE A 386
ASN A  60
 None
 1.26A 3vasA-3fw8A:
undetectable		 3vasA-3fw8A:
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.
3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		4 LEU A  55
ALA A  27
PHE A  31
ASN A 176
 None
 1.24A 3vasA-3gcfA:
undetectable		 3vasA-3gcfA:
21.89
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.
3kwr PUTATIVE RNA-BINDING
PROTEIN

(Lactobacillus
plantarum) 		no annotation 4 LEU A  53
ALA A  31
PHE A  25
ASN A  47
 None
 1.11A 3vasA-3kwrA:
undetectable		 3vasA-3kwrA:
15.25
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.
3lfl GLUTATHIONE
S-TRANSFERASE
OMEGA-1

(Homo sapiens) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		4 LEU A  56
ALA A 235
PHE A 224
ASN A 231
 GSH  A 241 (-3.7A)
None
None
None
 1.38A 3vasA-3lflA:
undetectable		 3vasA-3lflA:
23.02
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		4 LEU A 144
ALA A 305
PHE A 118
ASN A 256
 None
 1.09A 3vasA-3lstA:
undetectable		 3vasA-3lstA:
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.
3mv3 COATOMER SUBUNIT
EPSILON

(Saccharomyces
cerevisiae) 		PF04733
(Coatomer_E) 		4 LEU B 133
ALA B 167
PHE B 145
ASN B 183
 None
 1.27A 3vasA-3mv3B:
undetectable		 3vasA-3mv3B:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nap CAPSID PROTEIN

(Triatoma virus) 		PF00073
(Rhv) 		4 LEU C  56
ALA C 252
PHE C 256
ASN C  64
 None
 1.45A 3vasA-3napC:
undetectable		 3vasA-3napC:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE

(Escherichia
coli) 		PF01242
(PTPS) 		4 LEU A  68
ALA A  13
PHE A  34
ASN A  74
 None
 1.30A 3vasA-3qnaA:
undetectable		 3vasA-3qnaA:
21.21
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.
3r0o CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 LEU A 159
ALA A 179
PHE A 136
ASN A 186
 None
 1.36A 3vasA-3r0oA:
3.2		 3vasA-3r0oA:
21.05
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.
3r9s CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 LEU A 153
ALA A 173
PHE A 130
ASN A 180
 None
 1.35A 3vasA-3r9sA:
2.7		 3vasA-3r9sA:
21.31
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.
3vvd AMINO ACID ABC
TRANSPORTER, BINDING
PROTEIN

(Thermus
thermophilus) 		PF00497
(SBP_bac_3) 		4 LEU A 205
ALA A 196
PHE A  91
ASN A  68
 None
 0.97A 3vasA-3vvdA:
undetectable		 3vasA-3vvdA:
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.
3wye DIACETYL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING],L-2,3-BUTAN
EDIOL
DEHYDROGENASE,DIACET
YL REDUCTASE
[(S)-ACETOIN
FORMING]

(Corynebacterium
glutamicum;
Klebsiella
pneumoniae) 		PF13561
(adh_short_C2) 		4 LEU A 170
ALA A 121
PHE A 125
ASN A 136
 None
 1.45A 3vasA-3wyeA:
6.0		 3vasA-3wyeA:
24.21
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.
4afi AP-3 COMPLEX SUBUNIT
DELTA-1,
VESICLE-ASSOCIATED
MEMBRANE PROTEIN 7

(Homo sapiens;
Mus musculus) 		PF06375
(AP3D1)
PF13774
(Longin) 		4 LEU A 167
ALA A  55
PHE A 123
ASN A 173
 None
 1.50A 3vasA-4afiA:
undetectable		 3vasA-4afiA:
19.84
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.
4jwv SHORT CHAIN
ENOYL-COA HYDRATASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 LEU A 150
ALA A 170
PHE A 127
ASN A 177
 None
 1.11A 3vasA-4jwvA:
undetectable		 3vasA-4jwvA:
23.42
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.
4np4 TOXIN B

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		4 LEU A2100
ALA A2097
PHE A2090
ASN A2061
 None
 1.46A 3vasA-4np4A:
undetectable		 3vasA-4np4A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oe6 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		4 LEU A 220
ALA A 215
PHE A 169
ASN A 212
 None
 1.39A 3vasA-4oe6A:
undetectable		 3vasA-4oe6A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rct RESTRICTION
ENDONUCLEASE
R.NGOVII

(Neisseria
gonorrhoeae) 		PF09565
(RE_NgoFVII) 		4 LEU A 244
ALA A 211
PHE A 341
ASN A 220
 None
 1.37A 3vasA-4rctA:
undetectable		 3vasA-4rctA:
25.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ww3 RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		4 LEU A 165
ALA A 167
PHE A 120
ASN A 200
 None
None
RET  A 401 (-4.0A)
None
 1.38A 3vasA-4ww3A:
undetectable		 3vasA-4ww3A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xjx HSDR

(Escherichia
coli) 		PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C) 		4 LEU A 653
ALA A 642
PHE A 663
ASN A 647
 None
 1.48A 3vasA-4xjxA:
undetectable		 3vasA-4xjxA:
17.18
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.
4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG

(Haemophilus
influenzae) 		PF03595
(SLAC1) 		4 LEU A 298
ALA A 259
PHE A 260
ASN A 254
 None
BOG  A 401 (-4.0A)
None
None
 1.28A 3vasA-4ycrA:
undetectable		 3vasA-4ycrA:
22.99
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		4 LEU A 556
ALA A 567
PHE A 393
ASN A 572
 None
 1.30A 3vasA-5a2rA:
undetectable		 3vasA-5a2rA:
21.17
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.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		4 LEU A 377
ALA A 416
PHE A 414
ASN A 345
 None
 1.49A 3vasA-5fifA:
3.7		 3vasA-5fifA:
21.19
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 LEU A 396
ALA A 389
PHE A 332
ASN A  91
 None
 1.25A 3vasA-5ihrA:
0.6		 3vasA-5ihrA:
16.39
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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		4 LEU A 346
ALA A 348
PHE A 359
ASN A 302
 None
 1.35A 3vasA-5j78A:
undetectable		 3vasA-5j78A:
26.36
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.
5m1m MATRIX PROTEIN 1

(Influenza C
virus) 		PF03026
(CM1) 		4 LEU A   6
ALA A 146
PHE A 104
ASN A 152
 None
 1.47A 3vasA-5m1mA:
undetectable		 3vasA-5m1mA:
19.05
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.
5n8n EVPB FAMILY TYPE VI
SECRETION PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 LEU B 315
ALA B 363
PHE B 361
ASN B 289
 None
 1.48A 3vasA-5n8nB:
1.6		 3vasA-5n8nB:
11.65
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.
5y7r IRON/ALPHA-KETOGLUTA
RATE-DEPENDENT
DIOXYGENASE ASQJ

(Aspergillus
nidulans) 		no annotation 4 LEU B 226
ALA B 202
PHE B  38
ASN B 157
 None
None
None
58K  B 403 ( 3.7A)
 1.29A 3vasA-5y7rB:
undetectable		 3vasA-5y7rB:
13.37
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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 4 LEU A 233
ALA A 212
PHE A 129
ASN A 275
 None
 1.30A 3vasA-5ys9A:
undetectable		 3vasA-5ys9A:
12.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 4 LEU A  68
ALA A  66
PHE A 377
ASN A 235
 None
 1.48A 3vasA-6c66A:
undetectable		 3vasA-6c66A:
13.68