SIMILAR PATTERNS OF AMINO ACIDS FOR 3VAQ_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
 1.00A 3vaqA-1a5iA:
undetectable		 3vaqA-1a5iA:
19.63
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.
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
 0.88A 3vaqA-1cwvA:
undetectable		 3vaqA-1cwvA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d5t GUANINE NUCLEOTIDE
DISSOCIATION
INHIBITOR

(Bos taurus) 		PF00996
(GDI) 		5 ASP A 391
ILE A 258
LEU A  10
GLY A 393
GLY A 263
 None
 0.85A 3vaqA-1d5tA:
3.4		 3vaqA-1d5tA:
21.57
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)
 0.66A 3vaqA-1dgmA:
41.2		 3vaqA-1dgmA:
31.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		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)
 0.75A 3vaqA-1dgmA:
41.2		 3vaqA-1dgmA:
31.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 3vaqA-1h3gA:
undetectable		 3vaqA-1h3gA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.89A 3vaqA-1j1wA:
undetectable		 3vaqA-1j1wA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.85A 3vaqA-1kb0A:
undetectable		 3vaqA-1kb0A:
19.79
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.
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
 1.02A 3vaqA-1kj9A:
3.7		 3vaqA-1kj9A:
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.
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
 1.05A 3vaqA-1q51A:
3.7		 3vaqA-1q51A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.42A 3vaqA-1rk2A:
33.0		 3vaqA-1rk2A:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.02A 3vaqA-1txkA:
undetectable		 3vaqA-1txkA:
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.
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)
 0.45A 3vaqA-1tz6A:
31.2		 3vaqA-1tz6A:
27.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		5 ASP A  34
GLY A 111
GLY A 112
GLY A 437
ASP A 440
 GLC  A1457 ( 2.8A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 3.7A)
BGC  A2457 ( 4.0A)
BGC  A2457 ( 2.7A)
 0.51A 3vaqA-1ua4A:
24.3		 3vaqA-1ua4A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 3vaqA-1urjA:
undetectable		 3vaqA-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
 0.82A 3vaqA-1v19A:
33.1		 3vaqA-1v19A:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		6 LEU A 170
GLY A  34
ASN A  38
LEU A 138
GLY A 248
ASP A 251
 None
 1.07A 3vaqA-1v19A:
33.1		 3vaqA-1v19A:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.00A 3vaqA-1v3tA:
5.0		 3vaqA-1v3tA:
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  39
GLY A  40
ASN A  44
ASP A 246
 None
 0.69A 3vaqA-1vm7A:
30.8		 3vaqA-1vm7A:
27.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		5 LEU A 169
GLY A  34
ASN A  38
GLY A 253
ASP A 256
 None
 1.04A 3vaqA-1wyeA:
31.8		 3vaqA-1wyeA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 3vaqA-1xrsA:
undetectable		 3vaqA-1xrsA:
22.81
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.
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
 0.40A 3vaqA-2abqA:
26.1		 3vaqA-2abqA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 LEU A 171
GLY A  32
GLY A  33
ASN A  37
GLY A 277
ASP A 280
 None
 0.93A 3vaqA-2afbA:
30.8		 3vaqA-2afbA:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 LEU A 171
GLY A  33
ASN A  37
LEU A 139
GLY A 277
ASP A 280
 None
 1.05A 3vaqA-2afbA:
30.8		 3vaqA-2afbA:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASN A   8
ASP A  12
GLY A  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 3vaqA-2ajrA:
24.8		 3vaqA-2ajrA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		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
 0.46A 3vaqA-2ajrA:
24.8		 3vaqA-2ajrA:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  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)
 0.39A 3vaqA-2c49A:
28.9		 3vaqA-2c49A:
25.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  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
 0.54A 3vaqA-2c49A:
28.9		 3vaqA-2c49A:
25.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gux GRIFFITHSIN

(Griffithsia) 		PF01419
(Jacalin) 		5 ILE A  63
LEU A 114
GLY A  87
GLY A  86
LEU A 111
 None
 0.93A 3vaqA-2guxA:
undetectable		 3vaqA-2guxA:
20.87
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
 0.55A 3vaqA-2i6bA:
41.6		 3vaqA-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 ASN A  14
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 (-4.0A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 0.69A 3vaqA-2i6bA:
41.6		 3vaqA-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		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
 0.64A 3vaqA-2i6bA:
41.6		 3vaqA-2i6bA:
36.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 LEU A  40
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
 89I  A 500 ( 4.8A)
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
 1.03A 3vaqA-2i6bA:
41.6		 3vaqA-2i6bA:
36.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 249
 None
 0.72A 3vaqA-2jg5A:
25.3		 3vaqA-2jg5A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.52A 3vaqA-2jg5A:
25.3		 3vaqA-2jg5A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.92A 3vaqA-2nypA:
undetectable		 3vaqA-2nypA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.45A 3vaqA-2qcvA:
32.2		 3vaqA-2qcvA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 3vaqA-2y93A:
6.0		 3vaqA-2y93A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.93A 3vaqA-2z84A:
undetectable		 3vaqA-2z84A:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 3vaqA-2zecA:
undetectable		 3vaqA-2zecA:
19.26
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
GLY A 250
ASP A 253
 AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.4A)
AMP  A 501 (-2.8A)
 0.62A 3vaqA-3b1rA:
27.5		 3vaqA-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
 0.59A 3vaqA-3b3lA:
27.1		 3vaqA-3b3lA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dhw METHIONINE IMPORT
ATP-BINDING PROTEIN
METN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF09383
(NIL) 		5 ILE C 197
LEU C 195
GLY C 217
LEU C  26
GLY C  41
 None
 1.02A 3vaqA-3dhwC:
undetectable		 3vaqA-3dhwC:
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  33
GLY A  34
ASN A  38
ASP A 247
 None
 0.45A 3vaqA-3ewmA:
30.9		 3vaqA-3ewmA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  33
GLY A  34
ASN A  38
VAL A  90
 None
 0.47A 3vaqA-3ewmA:
30.9		 3vaqA-3ewmA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		6 GLY A  33
GLY A  34
ASN A  38
LEU A 103
GLY A 244
ASP A 247
 None
 0.91A 3vaqA-3ewmA:
30.9		 3vaqA-3ewmA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		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)
 0.44A 3vaqA-3go7A:
27.3		 3vaqA-3go7A:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 ASP A  33
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.46A 3vaqA-3hj6A:
29.0		 3vaqA-3hj6A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 LEU A 188
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.76A 3vaqA-3hj6A:
29.0		 3vaqA-3hj6A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
GLY A  38
ASN A  42
THR A 107
 None
 0.69A 3vaqA-3i3yA:
26.0		 3vaqA-3i3yA:
26.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 GLY A  37
GLY A  38
ASN A  42
GLY A 229
ASP A 232
 None
 0.64A 3vaqA-3i3yA:
26.0		 3vaqA-3i3yA:
26.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		6 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
 0.88A 3vaqA-3in1A:
30.6		 3vaqA-3in1A:
26.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.38A 3vaqA-3kzhA:
27.1		 3vaqA-3kzhA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6n METALLO-BETA-LACTAMA
SE

(Chryseobacterium
indologenes) 		PF00753
(Lactamase_B) 		5 ILE A 203
LEU A 236
GLY A 219
THR A 232
LEU A 188
 None
 1.00A 3vaqA-3l6nA:
undetectable		 3vaqA-3l6nA:
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.
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 3vaqA-3ll1A:
undetectable		 3vaqA-3ll1A:
16.53
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)
 0.36A 3vaqA-3looA:
47.4		 3vaqA-3looA:
38.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.98A 3vaqA-3lscA:
undetectable		 3vaqA-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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 ASN A  65
ILE A 319
LEU A 275
VAL A 299
GLY A  78
 None
 0.89A 3vaqA-3nzpA:
2.4		 3vaqA-3nzpA:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		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)
 0.41A 3vaqA-3otxA:
45.2		 3vaqA-3otxA:
30.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		6 ASP A  19
GLY A  40
GLY A  41
ASN A  45
GLY A 261
ASP A 264
 None
 0.49A 3vaqA-3pl2A:
31.5		 3vaqA-3pl2A:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.86A 3vaqA-3pquA:
undetectable		 3vaqA-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
 0.91A 3vaqA-3q1yA:
25.4		 3vaqA-3q1yA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
GLY A  38
GLY A 248
ASP A 251
 None
 0.61A 3vaqA-3q1yA:
25.4		 3vaqA-3q1yA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  40
GLY A  41
ASN A  45
ASP A 254
 GOL  A 401 (-3.1A)
GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
None
 0.63A 3vaqA-3ry7A:
27.7		 3vaqA-3ry7A:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.83A 3vaqA-3tjrA:
6.9		 3vaqA-3tjrA:
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.
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
 1.01A 3vaqA-3tv2A:
undetectable		 3vaqA-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)
 0.57A 3vaqA-3uboA:
39.9		 3vaqA-3uboA:
25.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		6 ASP A  15
LEU A 131
ASN A  63
THR A 129
GLY A 275
ASP A 278
 ADN  A 353 (-2.8A)
None
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
ADN  A 353 (-3.7A)
ADN  A 353 (-3.3A)
 1.38A 3vaqA-3uboA:
39.9		 3vaqA-3uboA:
25.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uqe 6-PHOSPHOFRUCTOKINAS
E ISOZYME 2

(Escherichia
coli) 		PF00294
(PfkB) 		5 GLY A  38
GLY A  39
ASN A  43
GLY A 253
ASP A 256
 None
None
None
ATP  A 401 ( 4.1A)
None
 0.57A 3vaqA-3uqeA:
25.0		 3vaqA-3uqeA:
25.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		12 ASN A  14
ASP A  18
ILE A  38
LEU A  40
GLY A  63
GLY A  64
ASN A  68
VAL A 123
THR A 136
LEU A 138
GLY A 299
ASP A 302
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.7A)
ADN  A 401 (-4.3A)
None
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-4.5A)
ADN  A 401 (-3.1A)
ADN  A 401 (-4.9A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-2.9A)
 0.10A 3vaqA-3vasA:
63.2		 3vaqA-3vasA:
99.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ASN A 359
ILE A 362
GLY A 573
THR A 319
GLY A 496
 None
 1.05A 3vaqA-3vskA:
undetectable		 3vaqA-3vskA:
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.
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)
 0.45A 3vaqA-4b8sA:
22.8		 3vaqA-4b8sA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.46A 3vaqA-4e3aA:
40.3		 3vaqA-4e3aA:
28.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		6 ASP A  13
LEU A 129
ASN A  61
THR A 127
GLY A 273
ASP A 276
 ADN  A 500 (-2.7A)
None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
ADN  A 500 (-3.9A)
ADN  A 500 (-2.8A)
 1.31A 3vaqA-4e3aA:
40.3		 3vaqA-4e3aA:
28.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.80A 3vaqA-4gm6A:
29.3		 3vaqA-4gm6A:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.94A 3vaqA-4htgA:
undetectable		 3vaqA-4htgA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 3vaqA-4il1A:
undetectable		 3vaqA-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
 0.99A 3vaqA-4il5A:
undetectable		 3vaqA-4il5A:
23.04
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.
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
 1.05A 3vaqA-4oraA:
undetectable		 3vaqA-4oraA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4orb SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Mus musculus) 		PF00149
(Metallophos) 		5 ASP A  90
LEU A 302
ASN A 150
THR A 304
GLY A 149
 FE  A 602 ( 3.4A)
None
ZN  A 601 (-2.7A)
None
None
 1.02A 3vaqA-4orbA:
undetectable		 3vaqA-4orbA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3vaqA-4pvvA:
28.0		 3vaqA-4pvvA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.63A 3vaqA-4wjmA:
29.9		 3vaqA-4wjmA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 LEU A 162
GLY A  29
GLY A  30
ASN A  34
ASP A 249
 None
None
None
None
ANP  A 401 ( 4.3A)
 0.90A 3vaqA-4wjmA:
29.9		 3vaqA-4wjmA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  38
GLY A  39
ASN A  43
ASP A 252
 None
 0.63A 3vaqA-4x8fA:
30.0		 3vaqA-4x8fA:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 3vaqA-4zb3A:
undetectable		 3vaqA-4zb3A:
24.74
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.90A 3vaqA-5b7iA:
undetectable		 3vaqA-5b7iA:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5brr TISSUE-TYPE
PLASMINOGEN
ACTIVATOR

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU E  64
GLY E 197
GLY E 196
LEU E 106
GLY E 142
 None
 0.91A 3vaqA-5brrE:
undetectable		 3vaqA-5brrE:
18.82
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
 None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
 0.52A 3vaqA-5c41A:
32.9		 3vaqA-5c41A:
25.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.98A 3vaqA-5de0A:
undetectable		 3vaqA-5de0A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		7 ASP A  30
GLY A  44
GLY A  45
ASN A  49
VAL A 101
GLY A 263
ASP A 266
 None
 0.59A 3vaqA-5ey7A:
31.4		 3vaqA-5ey7A:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3vaqA-5fynA:
undetectable		 3vaqA-5fynA:
21.00
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.
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
 0.87A 3vaqA-5it9g:
undetectable		 3vaqA-5it9g:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE

(Corynebacterium
glutamicum) 		PF02446
(Glyco_hydro_77) 		5 ILE A 531
LEU A 562
THR A 559
GLY A 528
ASP A 509
 None
 1.01A 3vaqA-5jjhA:
2.8		 3vaqA-5jjhA:
18.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 3vaqA-5k6wA:
undetectable		 3vaqA-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)
 0.51A 3vaqA-5o0jA:
23.9		 3vaqA-5o0jA:
12.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 ASP A  28
GLY A 106
GLY A 107
GLY A 439
ASP A 442
 GLC  A 501 (-2.7A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.7A)
PO4  A 504 (-3.1A)
GLC  A 501 ( 2.6A)
 0.51A 3vaqA-5od2A:
20.7		 3vaqA-5od2A:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 5 LEU A 527
GLY A 476
THR A 526
LEU A 473
GLY A 488
 None
 1.01A 3vaqA-5xpgA:
undetectable		 3vaqA-5xpgA:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3vaqA-5xraA:
3.6		 3vaqA-5xraA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 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 3vaqA-5ybwA:
2.4		 3vaqA-5ybwA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.55A 3vaqA-6cw5A:
30.7		 3vaqA-6cw5A:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1air PECTATE LYASE C

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		4 LEU A 123
ALA A 101
PHE A 103
ASN A 146
 None
 1.50A 3vaqA-1airA:
undetectable		 3vaqA-1airA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		4 LEU A 170
ALA A 121
PHE A 125
ASN A 136
 None
 1.38A 3vaqA-1gegA:
6.6		 3vaqA-1gegA:
25.07
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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		4 LEU A 153
ALA A 155
PHE A 238
ASN A 298
 None
 1.37A 3vaqA-1js6A:
3.9		 3vaqA-1js6A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o8u 6-OXO CAMPHOR
HYDROLASE

(Rhodococcus
erythropolis) 		PF00378
(ECH_1) 		4 LEU A 164
ALA A 184
PHE A 140
ASN A 191
 None
 1.02A 3vaqA-1o8uA:
undetectable		 3vaqA-1o8uA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oh9 ACETYLGLUTAMATE
KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		4 LEU A 142
ALA A  92
PHE A  24
ASN A  85
 None
 1.18A 3vaqA-1oh9A:
undetectable		 3vaqA-1oh9A:
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.
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 3vaqA-1py5A:
undetectable		 3vaqA-1py5A:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r30 BIOTIN SYNTHASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 LEU A 291
ALA A 263
PHE A 285
ASN A 153
 DTB  A 502 ( 3.3A)
DTB  A 502 (-3.4A)
DTB  A 502 (-4.5A)
DTB  A 502 ( 3.7A)
 1.45A 3vaqA-1r30A:
2.5		 3vaqA-1r30A:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ttx ONCOMODULIN

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 LEU A  59
ALA A 100
PHE A  48
ASN A  92
 None
 1.27A 3vaqA-1ttxA:
undetectable		 3vaqA-1ttxA:
15.13
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.
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
 1.37A 3vaqA-1uypA:
undetectable		 3vaqA-1uypA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.47A 3vaqA-1vdkA:
undetectable		 3vaqA-1vdkA:
21.41
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.
1vki HYPOTHETICAL PROTEIN
ATU3699

(Agrobacterium
fabrum) 		PF04073
(tRNA_edit) 		4 LEU A 138
ALA A 111
PHE A 154
ASN A  51
 None
 1.49A 3vaqA-1vkiA:
undetectable		 3vaqA-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.
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 3vaqA-1xc6A:
undetectable		 3vaqA-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.
1zpv ACT DOMAIN PROTEIN

(Streptococcus
pneumoniae) 		PF13740
(ACT_6) 		4 LEU A  28
ALA A   3
PHE A  56
ASN A  -2
 None
 1.33A 3vaqA-1zpvA:
undetectable		 3vaqA-1zpvA:
14.05
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.
2dj6 HYPOTHETICAL PROTEIN
PH0634

(Pyrococcus
horikoshii) 		PF01242
(PTPS) 		4 LEU A  63
ALA A  13
PHE A  31
ASN A  69
 LEU  A  63 ( 0.5A)
ALA  A  13 ( 0.0A)
PHE  A  31 ( 1.3A)
ASN  A  69 ( 0.6A)
 1.49A 3vaqA-2dj6A:
undetectable		 3vaqA-2dj6A:
16.53
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.
2guh PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		4 LEU A  98
ALA A 158
PHE A  94
ASN A 107
 None
EDO  A 505 ( 4.9A)
EDO  A 505 (-3.8A)
None
 0.95A 3vaqA-2guhA:
undetectable		 3vaqA-2guhA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hcm DUAL SPECIFICITY
PROTEIN PHOSPHATASE

(Mus musculus) 		PF00782
(DSPc) 		4 LEU A 142
ALA A 103
PHE A 122
ASN A 135
 None
None
GOL  A 369 (-4.0A)
None
 1.50A 3vaqA-2hcmA:
undetectable		 3vaqA-2hcmA:
18.26
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.
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
 1.28A 3vaqA-2hh9A:
3.1		 3vaqA-2hh9A:
22.84
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.
2hqb TRANSCRIPTIONAL
ACTIVATOR OF COMK
GENE

(Bacillus
halodurans) 		PF02608
(Bmp) 		4 LEU A 240
ALA A 232
PHE A  62
ASN A  59
 None
 1.49A 3vaqA-2hqbA:
3.2		 3vaqA-2hqbA:
23.21
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.
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
 1.34A 3vaqA-2i80A:
2.3		 3vaqA-2i80A:
23.26
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.
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)
 1.27A 3vaqA-2o2qA:
2.1		 3vaqA-2o2qA:
25.33
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		4 LEU A 449
ALA A 427
PHE A 429
ASN A 452
 None
 1.48A 3vaqA-2o3eA:
undetectable		 3vaqA-2o3eA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2prz OROTATE
PHOSPHORIBOSYLTRANSF
ERASE 1

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		4 LEU A  48
ALA A  15
PHE A  11
ASN A  39
 None
 1.37A 3vaqA-2przA:
undetectable		 3vaqA-2przA:
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		4 LEU A 130
ALA A 107
PHE A 109
ASN A 157
 None
 1.49A 3vaqA-2qy1A:
undetectable		 3vaqA-2qy1A:
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.
2r7y RIBONUCLEASE H

(Bacillus
halodurans) 		no annotation 4 LEU A 117
ALA A 165
PHE A 110
ASN A 170
 None
 1.32A 3vaqA-2r7yA:
undetectable		 3vaqA-2r7yA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.36A 3vaqA-2v5iA:
undetectable		 3vaqA-2v5iA:
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.
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
 1.46A 3vaqA-2yfhA:
undetectable		 3vaqA-2yfhA:
21.24
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.
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
 1.30A 3vaqA-2z3kA:
undetectable		 3vaqA-2z3kA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 4 LEU C 172
ALA C 123
PHE C 127
ASN C 138
 None
 1.31A 3vaqA-3a28C:
6.3		 3vaqA-3a28C:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.29A 3vaqA-3eshA:
undetectable		 3vaqA-3eshA:
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.
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
 1.23A 3vaqA-3fw8A:
undetectable		 3vaqA-3fw8A:
20.70
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.
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 3vaqA-3gcfA:
undetectable		 3vaqA-3gcfA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.39A 3vaqA-3lflA:
undetectable		 3vaqA-3lflA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.11A 3vaqA-3lstA:
3.8		 3vaqA-3lstA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3vaqA-3mv3B:
undetectable		 3vaqA-3mv3B:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nap CAPSID PROTEIN

(Triatoma virus) 		PF00073
(Rhv) 		4 LEU C  56
ALA C 252
PHE C 256
ASN C  64
 None
 1.47A 3vaqA-3napC:
undetectable		 3vaqA-3napC:
20.37
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.
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
 1.33A 3vaqA-3qnaA:
undetectable		 3vaqA-3qnaA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r0o CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 LEU A 159
ALA A 179
PHE A 136
ASN A 186
 None
 1.40A 3vaqA-3r0oA:
undetectable		 3vaqA-3r0oA:
21.50
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.
3r9s CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 LEU A 153
ALA A 173
PHE A 130
ASN A 180
 None
 1.40A 3vaqA-3r9sA:
undetectable		 3vaqA-3r9sA:
21.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		4 LEU A  16
ALA A  65
PHE A 169
ASN A 298
 ADN  A 401 (-4.7A)
ADN  A 401 (-3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
 0.12A 3vaqA-3vasA:
63.2		 3vaqA-3vasA:
99.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.00A 3vaqA-3vvdA:
undetectable		 3vaqA-3vvdA:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 3vaqA-4jwvA:
undetectable		 3vaqA-4jwvA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4np4 TOXIN B

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		4 LEU A2100
ALA A2097
PHE A2090
ASN A2061
 None
 1.45A 3vaqA-4np4A:
undetectable		 3vaqA-4np4A:
20.87
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.
4ntm 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE

(Escherichia
coli) 		PF01242
(PTPS) 		4 LEU A  69
ALA A  14
PHE A  35
ASN A  75
 None
 1.34A 3vaqA-4ntmA:
undetectable		 3vaqA-4ntmA:
18.45
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.
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
 1.37A 3vaqA-4oe6A:
3.2		 3vaqA-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
 1.35A 3vaqA-4rctA:
undetectable		 3vaqA-4rctA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rdm RESTRICTION
ENDONUCLEASE
R.NGOVII

(Neisseria
gonorrhoeae) 		PF09565
(RE_NgoFVII) 		4 LEU A 244
ALA A 211
PHE A 341
ASN A 220
 None
 1.33A 3vaqA-4rdmA:
undetectable		 3vaqA-4rdmA:
17.65
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.
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
 1.39A 3vaqA-4ww3A:
undetectable		 3vaqA-4ww3A:
21.23
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.
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 3vaqA-4ycrA:
undetectable		 3vaqA-4ycrA:
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		4 LEU A 556
ALA A 567
PHE A 393
ASN A 572
 None
 1.37A 3vaqA-5a2rA:
1.8		 3vaqA-5a2rA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		4 LEU A 377
ALA A 416
PHE A 414
ASN A 345
 None
 1.49A 3vaqA-5fifA:
4.9		 3vaqA-5fifA:
21.02
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.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		4 LEU A  44
ALA A  20
PHE A  17
ASN A  29
 None
 1.38A 3vaqA-5hdmA:
undetectable		 3vaqA-5hdmA:
22.98
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.
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
 1.26A 3vaqA-5ihrA:
0.6		 3vaqA-5ihrA:
16.48
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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		4 LEU A 346
ALA A 348
PHE A 359
ASN A 302
 None
 1.34A 3vaqA-5j78A:
3.5		 3vaqA-5j78A:
26.47
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.
5m1m MATRIX PROTEIN 1

(Influenza C
virus) 		PF03026
(CM1) 		4 LEU A   6
ALA A 146
PHE A 104
ASN A 152
 None
 1.44A 3vaqA-5m1mA:
undetectable		 3vaqA-5m1mA:
18.38
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 LEU A 220
ALA A 215
PHE A 239
ASN B 123
 None
 1.47A 3vaqA-5mkkA:
undetectable		 3vaqA-5mkkA:
20.10
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.
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
 1.50A 3vaqA-5n8nB:
1.6		 3vaqA-5n8nB:
11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u6b TYROSINE-PROTEIN
KINASE RECEPTOR UFO

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 620
ALA A 689
PHE A 691
ASN A 681
 7YS  A9001 (-4.2A)
7YS  A9001 (-3.4A)
None
None
 1.43A 3vaqA-5u6bA:
undetectable		 3vaqA-5u6bA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wai POLYCOMB PROTEIN
SUZ12

(Homo sapiens) 		no annotation 4 LEU B  87
ALA B  89
PHE B  90
ASN B 435
 None
 1.22A 3vaqA-5waiB:
undetectable		 3vaqA-5waiB:
11.08
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.
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)
 1.25A 3vaqA-5y7rB:
undetectable		 3vaqA-5y7rB:
13.29
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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 4 LEU A 233
ALA A 212
PHE A 129
ASN A 275
 None
 1.33A 3vaqA-5ys9A:
undetectable		 3vaqA-5ys9A:
12.72