SIMILAR PATTERNS OF AMINO ACIDS FOR 3UQ6_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 3uq6A-1a5iA:
undetectable		 3uq6A-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
 0.90A 3uq6A-1cwvA:
undetectable		 3uq6A-1cwvA:
19.53
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)
 0.68A 3uq6A-1dgmA:
41.5		 3uq6A-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)
 0.74A 3uq6A-1dgmA:
41.5		 3uq6A-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) 		5 LEU A  46
GLY A  68
THR A 140
LEU A 142
GLY A 353
 None
ADN  A 375 ( 4.5A)
ADN  A 375 ( 4.9A)
None
None
 1.06A 3uq6A-1dgmA:
41.5		 3uq6A-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
 1.05A 3uq6A-1h3gA:
undetectable		 3uq6A-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
 0.95A 3uq6A-1j1wA:
undetectable		 3uq6A-1j1wA:
18.49
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.
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)
 0.89A 3uq6A-1kb0A:
undetectable		 3uq6A-1kb0A:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3uq6A-1kj9A:
3.3		 3uq6A-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.
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
 1.03A 3uq6A-1pgjA:
5.2		 3uq6A-1pgjA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 3uq6A-1q51A:
undetectable		 3uq6A-1q51A:
22.61
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.
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)
 0.35A 3uq6A-1rk2A:
33.4		 3uq6A-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 3uq6A-1txkA:
undetectable		 3uq6A-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)
 0.44A 3uq6A-1tz6A:
31.5		 3uq6A-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)
 0.46A 3uq6A-1ua4A:
24.3		 3uq6A-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
 1.03A 3uq6A-1urjA:
undetectable		 3uq6A-1urjA:
15.41
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.
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
 0.86A 3uq6A-1v19A:
33.2		 3uq6A-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
 1.10A 3uq6A-1v19A:
33.2		 3uq6A-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.
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
 0.95A 3uq6A-1xrsA:
undetectable		 3uq6A-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
 0.39A 3uq6A-2abqA:
26.2		 3uq6A-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
 0.95A 3uq6A-2afbA:
27.7		 3uq6A-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
 1.07A 3uq6A-2afbA:
27.7		 3uq6A-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 3uq6A-2ajrA:
24.9		 3uq6A-2ajrA:
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.
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 3uq6A-2ajrA:
24.9		 3uq6A-2ajrA:
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.
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)
 0.34A 3uq6A-2c49A:
29.3		 3uq6A-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
 0.49A 3uq6A-2c49A:
29.3		 3uq6A-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.
2cir HEXOSE-6-PHOSPHATE
MUTAROTASE

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim) 		5 ILE A  24
LEU A 128
GLY A  58
GLY A  59
LEU A  62
 None
 1.07A 3uq6A-2cirA:
undetectable		 3uq6A-2cirA:
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.
2ddu REELIN

(Mus musculus) 		no annotation 5 LEU A1459
GLY A1488
LEU A1484
GLY A1364
ASP A1365
 None
 1.03A 3uq6A-2dduA:
undetectable		 3uq6A-2dduA:
22.20
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.
2det TRNA-SPECIFIC
2-THIOURIDYLASE MNMA

(Escherichia
coli) 		PF03054
(tRNA_Me_trans) 		5 LEU A 185
GLY A  14
GLY A  15
VAL A  61
GLY A  11
 None
SO4  A5001 (-4.0A)
SO4  A5001 (-3.2A)
None
None
 0.98A 3uq6A-2detA:
undetectable		 3uq6A-2detA:
23.93
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 3uq6A-2i6bA:
41.8		 3uq6A-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
 0.71A 3uq6A-2i6bA:
41.8		 3uq6A-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
 0.61A 3uq6A-2i6bA:
41.8		 3uq6A-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
 1.06A 3uq6A-2i6bA:
41.8		 3uq6A-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 GLY A  36
GLY A  37
ASN A  41
GLY A 246
ASP A 249
 None
 0.52A 3uq6A-2jg5A:
25.6		 3uq6A-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
 0.95A 3uq6A-2nypA:
undetectable		 3uq6A-2nypA:
18.92
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.
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 3uq6A-2qcvA:
32.4		 3uq6A-2qcvA:
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.
2w0p FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		5 ILE A2261
GLY A2269
GLY A2270
ASN A2312
GLY A2237
 None
 0.82A 3uq6A-2w0pA:
undetectable		 3uq6A-2w0pA:
11.99
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.
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
 1.02A 3uq6A-2y93A:
6.6		 3uq6A-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
 0.92A 3uq6A-2z84A:
undetectable		 3uq6A-2z84A:
17.51
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.
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)
 0.56A 3uq6A-3b1rA:
27.8		 3uq6A-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
 0.53A 3uq6A-3b3lA:
27.3		 3uq6A-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.
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
 0.40A 3uq6A-3ewmA:
31.2		 3uq6A-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
 0.49A 3uq6A-3ewmA:
31.2		 3uq6A-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
 0.90A 3uq6A-3ewmA:
31.2		 3uq6A-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)
 0.38A 3uq6A-3go7A:
27.7		 3uq6A-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.
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 3uq6A-3greA:
undetectable		 3uq6A-3greA:
23.58
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 ASP A  33
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.45A 3uq6A-3hj6A:
29.0		 3uq6A-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
 0.79A 3uq6A-3hj6A:
29.0		 3uq6A-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.
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 3uq6A-3i3aA:
undetectable		 3uq6A-3i3aA:
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.
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 3uq6A-3i3yA:
26.2		 3uq6A-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
 0.62A 3uq6A-3i3yA:
26.2		 3uq6A-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 3uq6A-3in1A:
30.7		 3uq6A-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.
3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 LEU A  38
GLY A 112
GLY A 114
LEU A  21
GLY A 147
 None
 0.96A 3uq6A-3kqfA:
undetectable		 3uq6A-3kqfA:
21.22
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.
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
 0.36A 3uq6A-3kzhA:
27.7		 3uq6A-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
 1.03A 3uq6A-3l6nA:
undetectable		 3uq6A-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
 0.86A 3uq6A-3ll1A:
undetectable		 3uq6A-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)
 0.27A 3uq6A-3looA:
47.7		 3uq6A-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
 1.01A 3uq6A-3lscA:
undetectable		 3uq6A-3lscA:
21.14
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)
 0.36A 3uq6A-3otxA:
45.5		 3uq6A-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
 0.44A 3uq6A-3pl2A:
31.5		 3uq6A-3pl2A:
23.66
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.
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 3uq6A-3pquA:
undetectable		 3uq6A-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
 0.92A 3uq6A-3q1yA:
25.5		 3uq6A-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
 0.63A 3uq6A-3q1yA:
25.5		 3uq6A-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.
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
 1.02A 3uq6A-3qfkA:
undetectable		 3uq6A-3qfkA:
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.
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
 0.61A 3uq6A-3ry7A:
27.8		 3uq6A-3ry7A:
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.
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
 0.84A 3uq6A-3tjrA:
7.4		 3uq6A-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.
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)
 0.53A 3uq6A-3uboA:
40.3		 3uq6A-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)
 1.33A 3uq6A-3uboA:
40.3		 3uq6A-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 LEU A  37
GLY A  59
ASN A  63
THR A 129
LEU A 131
GLY A 275
 None
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
None
ADN  A 353 (-3.7A)
 1.27A 3uq6A-3uboA:
40.3		 3uq6A-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
 0.62A 3uq6A-3uqeA:
25.2		 3uq6A-3uqeA:
24.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		12 ASN A  14
ASP A  18
ILE A  38
LEU A  40
GLY A  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)
 0.11A 3uq6A-3vasA:
62.7		 3uq6A-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.
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)
 0.40A 3uq6A-4b8sA:
22.8		 3uq6A-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)
 0.43A 3uq6A-4e3aA:
40.6		 3uq6A-4e3aA:
28.06
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		5 GLY A  33
GLY A  34
ASN A  38
GLY A 267
ASP A 270
 GOL  A 401 ( 4.1A)
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
GOL  A 401 ( 4.5A)
GOL  A 401 (-3.0A)
 0.41A 3uq6A-4gm6A:
25.2		 3uq6A-4gm6A:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		5 LEU A 172
GLY A  33
GLY A  34
ASN A  38
ASP A 270
 None
GOL  A 401 ( 4.1A)
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
GOL  A 401 (-3.0A)
 0.85A 3uq6A-4gm6A:
25.2		 3uq6A-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 3uq6A-4htgA:
undetectable		 3uq6A-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 3uq6A-4il1A:
undetectable		 3uq6A-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
 1.03A 3uq6A-4il5A:
3.1		 3uq6A-4il5A:
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.
4n8y PUTATIVE TRAP-TYPE
C4-DICARBOXYLATE
TRANSPORT SYSTEM,
BINDING PERIPLASMIC
PROTEIN (DCTP
SUBUNIT)

(Bradyrhizobium
sp. BTAi1) 		PF03480
(DctP) 		5 ILE A  86
LEU A  76
GLY A  64
THR A  72
LEU A  81
 None
 1.04A 3uq6A-4n8yA:
undetectable		 3uq6A-4n8yA:
21.48
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.
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 3uq6A-4oraA:
undetectable		 3uq6A-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
 1.04A 3uq6A-4orbA:
undetectable		 3uq6A-4orbA:
22.24
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.
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)
 0.60A 3uq6A-4pvvA:
28.2		 3uq6A-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)
 0.62A 3uq6A-4wjmA:
30.1		 3uq6A-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)
 0.94A 3uq6A-4wjmA:
30.1		 3uq6A-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.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 LEU A 107
GLY A 292
THR A 103
LEU A 307
GLY A  90
 None
 0.89A 3uq6A-4wy8A:
4.1		 3uq6A-4wy8A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.90A 3uq6A-4zb3A:
undetectable		 3uq6A-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 3uq6A-5b7iA:
undetectable		 3uq6A-5b7iA:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		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)
 0.49A 3uq6A-5c41A:
33.1		 3uq6A-5c41A:
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.
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)
 0.97A 3uq6A-5de0A:
undetectable		 3uq6A-5de0A:
21.36
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.
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 3uq6A-5ey7A:
31.5		 3uq6A-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
 0.83A 3uq6A-5fynA:
undetectable		 3uq6A-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
 0.84A 3uq6A-5it9g:
undetectable		 3uq6A-5it9g:
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.
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
 1.04A 3uq6A-5k6wA:
undetectable		 3uq6A-5k6wA:
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.
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)
 0.47A 3uq6A-5o0jA:
24.0		 3uq6A-5o0jA:
11.86
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)
 0.47A 3uq6A-5od2A:
22.3		 3uq6A-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.
5tr9 FERREDOXIN-NADP
REDUCTASE

(Neisseria
gonorrhoeae) 		PF00175
(NAD_binding_1) 		5 ILE A 231
LEU A 245
THR A 241
LEU A 209
GLY A 129
 None
None
None
None
EDO  A 304 (-3.3A)
 0.88A 3uq6A-5tr9A:
4.3		 3uq6A-5tr9A:
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.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 5 LEU A 527
GLY A 476
THR A 526
LEU A 473
GLY A 488
 None
 1.02A 3uq6A-5xpgA:
undetectable		 3uq6A-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
 1.01A 3uq6A-5xraA:
5.1		 3uq6A-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.
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
 0.48A 3uq6A-6cw5A:
31.0		 3uq6A-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.
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)
 1.07A 3uq6A-6fksA:
undetectable		 3uq6A-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.
1a59 CITRATE SYNTHASE

(Antarctic
bacterium
DS2-3R) 		PF00285
(Citrate_synt) 		4 LEU A 340
ALA A 343
MET A  94
PHE A 130
 None
 1.49A 3uq6A-1a59A:
undetectable		 3uq6A-1a59A:
21.11
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.
1bsl BACTERIAL LUCIFERASE

(Vibrio harveyi) 		PF00296
(Bac_luciferase) 		4 LEU A   5
ALA A  40
MET A  24
ASN A   9
 None
 1.47A 3uq6A-1bslA:
undetectable		 3uq6A-1bslA:
20.60
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.
1e6i TRANSCRIPTIONAL
ACTIVATOR GCN5

(Saccharomyces
cerevisiae) 		PF00439
(Bromodomain) 		4 LEU A 420
ALA A 396
PHE A 424
ASN A 401
 None
 1.47A 3uq6A-1e6iA:
undetectable		 3uq6A-1e6iA:
17.41
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.
1ef9 METHYLMALONYL COA
DECARBOXYLASE

(Escherichia
coli) 		PF00378
(ECH_1) 		4 LEU A 160
ALA A 172
MET A 116
PHE A 129
 None
 1.23A 3uq6A-1ef9A:
undetectable		 3uq6A-1ef9A:
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.
1geg ACETOIN REDUCTASE

(Klebsiella
pneumoniae) 		PF00106
(adh_short) 		4 LEU A 170
ALA A 121
PHE A 125
ASN A 136
 None
 1.45A 3uq6A-1gegA:
6.6		 3uq6A-1gegA:
24.80
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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		4 LEU A 153
ALA A 155
PHE A 238
ASN A 298
 None
 1.42A 3uq6A-1js6A:
undetectable		 3uq6A-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.
1msk COBALAMIN-DEPENDENT
METHIONINE SYNTHASE

(Escherichia
coli) 		PF02965
(Met_synt_B12) 		4 ALA A1090
MET A 983
PHE A 950
ASN A1084
 None
 1.43A 3uq6A-1mskA:
undetectable		 3uq6A-1mskA:
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.
1npe NIDOGEN

(Mus musculus) 		PF00058
(Ldl_recept_b) 		4 LEU A1117
ALA A1149
MET A1154
ASN A1132
 None
 1.38A 3uq6A-1npeA:
undetectable		 3uq6A-1npeA:
21.68
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.
1o8u 6-OXO CAMPHOR
HYDROLASE

(Rhodococcus
erythropolis) 		PF00378
(ECH_1) 		4 LEU A 164
ALA A 184
PHE A 140
ASN A 191
 None
 0.97A 3uq6A-1o8uA:
undetectable		 3uq6A-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
 1.24A 3uq6A-1oh9A:
undetectable		 3uq6A-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.
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 3uq6A-1pq4A:
4.3		 3uq6A-1pq4A:
23.30
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.
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)
 1.40A 3uq6A-1r30A:
2.2		 3uq6A-1r30A:
22.41
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.
1tjy SUGAR TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF13407
(Peripla_BP_4) 		4 LEU A 225
ALA A 227
PHE A 158
ASN A 195
 None
 1.47A 3uq6A-1tjyA:
4.7		 3uq6A-1tjyA:
23.10
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.
1ttx ONCOMODULIN

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 LEU A  59
ALA A 100
PHE A  48
ASN A  92
 None
 1.28A 3uq6A-1ttxA:
undetectable		 3uq6A-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
 1.45A 3uq6A-1uypA:
undetectable		 3uq6A-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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 ALA A  18
MET A 114
PHE A  15
ASN A 209
 None
 1.48A 3uq6A-1vb3A:
undetectable		 3uq6A-1vb3A:
21.44
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.
1vbj PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
brucei) 		PF00248
(Aldo_ket_red) 		4 LEU A   7
MET A 158
PHE A  73
ASN A  11
 None
 1.46A 3uq6A-1vbjA:
3.2		 3uq6A-1vbjA:
22.80
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.
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
 1.44A 3uq6A-1vdkA:
undetectable		 3uq6A-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
 1.46A 3uq6A-1vkiA:
undetectable		 3uq6A-1vkiA:
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.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		4 LEU A 388
ALA A 392
MET A 171
ASN A 143
 None
 1.36A 3uq6A-1vpeA:
5.8		 3uq6A-1vpeA:
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.
1zpv ACT DOMAIN PROTEIN

(Streptococcus
pneumoniae) 		PF13740
(ACT_6) 		4 LEU A  28
ALA A   3
PHE A  56
ASN A  -2
 None
 1.43A 3uq6A-1zpvA:
undetectable		 3uq6A-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.
2bjs ISOPENICILLIN N
SYNTHETASE

(Aspergillus
nidulans) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 LEU A 157
ALA A 161
MET A 257
PHE A 170
 None
 1.22A 3uq6A-2bjsA:
undetectable		 3uq6A-2bjsA:
21.39
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.
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)
 1.44A 3uq6A-2dj6A:
undetectable		 3uq6A-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.
2fo1 LIN-12 PROTEIN

(Caenorhabditis
elegans) 		PF00023
(Ank)
PF12796
(Ank_2) 		4 LEU E1131
ALA E1136
MET E1099
ASN E1124
 None
 1.31A 3uq6A-2fo1E:
undetectable		 3uq6A-2fo1E:
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.
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
 1.27A 3uq6A-2hh9A:
undetectable		 3uq6A-2hh9A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.40A 3uq6A-2i80A:
undetectable		 3uq6A-2i80A:
23.61
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.
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)
 1.17A 3uq6A-2o2qA:
3.7		 3uq6A-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
 1.44A 3uq6A-2o3eA:
undetectable		 3uq6A-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.
2pq6 UDP-GLUCURONOSYL/UDP
-GLUCOSYLTRANSFERASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		4 LEU A 314
ALA A 317
MET A 308
PHE A 343
 None
 1.28A 3uq6A-2pq6A:
5.8		 3uq6A-2pq6A:
21.36
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		4 LEU A 130
ALA A 107
PHE A 109
ASN A 157
 None
 1.41A 3uq6A-2qy1A:
undetectable		 3uq6A-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
 1.24A 3uq6A-2r7yA:
undetectable		 3uq6A-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.
2rjn RESPONSE REGULATOR
RECEIVER:METAL-DEPEN
DENT
PHOSPHOHYDROLASE, HD
SUBDOMAIN

(Neptuniibacter
caesariensis) 		PF00072
(Response_reg) 		4 LEU A  41
ALA A  43
MET A  61
PHE A  69
 None
 1.50A 3uq6A-2rjnA:
5.5		 3uq6A-2rjnA:
17.58
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.
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
 1.35A 3uq6A-2v5iA:
undetectable		 3uq6A-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.
2xu2 UPF0271 PROTEIN
PA4511

(Pseudomonas
aeruginosa) 		PF03746
(LamB_YcsF) 		4 LEU A 229
MET A 148
PHE A 174
ASN A  38
 None
None
CIT  A1249 (-3.9A)
None
 1.42A 3uq6A-2xu2A:
2.4		 3uq6A-2xu2A:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3uq6A-2z3kA:
undetectable		 3uq6A-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
 1.38A 3uq6A-3a28C:
6.6		 3uq6A-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.
3d1n POU DOMAIN, CLASS 6,
TRANSCRIPTION FACTOR
1

(Homo sapiens) 		PF00046
(Homeobox)
PF00157
(Pou) 		4 LEU I 163
ALA I 212
MET I 172
PHE I 226
 None
 1.33A 3uq6A-3d1nI:
undetectable		 3uq6A-3d1nI:
17.60
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.
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
 1.28A 3uq6A-3eshA:
undetectable		 3uq6A-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.
3fk9 MUTATOR MUTT PROTEIN

(Bacillus
halodurans) 		PF00293
(NUDIX) 		4 LEU A 144
ALA A 115
MET A  66
PHE A 142
 None
 1.33A 3uq6A-3fk9A:
undetectable		 3uq6A-3fk9A:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.28A 3uq6A-3gcfA:
undetectable		 3uq6A-3gcfA:
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.
3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		4 LEU A 587
ALA A 603
MET A 729
PHE A 644
 None
 1.35A 3uq6A-3gitA:
undetectable		 3uq6A-3gitA:
21.78
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 LEU A 279
ALA A 244
MET A  74
ASN A  43
 None
 1.50A 3uq6A-3h09A:
undetectable		 3uq6A-3h09A:
17.56
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.
3kwr PUTATIVE RNA-BINDING
PROTEIN

(Lactobacillus
plantarum) 		no annotation 4 LEU A  53
ALA A  31
PHE A  25
ASN A  47
 None
 1.08A 3uq6A-3kwrA:
undetectable		 3uq6A-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
 1.36A 3uq6A-3lflA:
undetectable		 3uq6A-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.
3lo0 INORGANIC
PYROPHOSPHATASE

(Ehrlichia
chaffeensis) 		PF00719
(Pyrophosphatase) 		4 LEU A  73
ALA A  75
PHE A 131
ASN A  25
 None
 1.48A 3uq6A-3lo0A:
undetectable		 3uq6A-3lo0A:
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		4 LEU A 144
ALA A 305
PHE A 118
ASN A 256
 None
 1.01A 3uq6A-3lstA:
undetectable		 3uq6A-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.
3m7n PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Archaeoglobus
fulgidus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 LEU D 173
ALA D 163
MET D  47
ASN D 142
 None
 1.49A 3uq6A-3m7nD:
undetectable		 3uq6A-3m7nD:
21.32
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.
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
 1.23A 3uq6A-3qnaA:
undetectable		 3uq6A-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
 1.34A 3uq6A-3r0oA:
undetectable		 3uq6A-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
 1.35A 3uq6A-3r9sA:
2.8		 3uq6A-3r9sA:
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 LEU A 201
MET A  53
PHE A  80
ASN A  84
 None
None
None
OCS  A 177 ( 4.2A)
 1.29A 3uq6A-3uk1A:
undetectable		 3uq6A-3uk1A:
19.44
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.
3up9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Actinomyces
odontolyticus) 		PF03180
(Lipoprotein_9) 		4 LEU A 100
ALA A 103
MET A 300
ASN A 149
 None
 1.25A 3uq6A-3up9A:
undetectable		 3uq6A-3up9A:
21.93
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) 		5 LEU A  16
ALA A  65
MET A 134
PHE A 169
ASN A 298
 ADN  A 401 (-4.7A)
ADN  A 401 (-3.8A)
ADN  A 401 ( 4.0A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
 0.19A 3uq6A-3vasA:
62.7		 3uq6A-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
 0.95A 3uq6A-3vvdA:
undetectable		 3uq6A-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.
3w6x MPR1 PROTEIN

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A 153
ALA A  44
MET A 228
ASN A 159
 None
 1.44A 3uq6A-3w6xA:
undetectable		 3uq6A-3w6xA:
21.29
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.
4c2x GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 2

(Homo sapiens) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 ALA A 452
MET A 435
PHE A 467
ASN A 424
 None
 1.44A 3uq6A-4c2xA:
undetectable		 3uq6A-4c2xA:
24.24
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.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		4 LEU A 254
ALA A 183
MET A 100
ASN A 205
 None
 1.33A 3uq6A-4c9mA:
undetectable		 3uq6A-4c9mA:
20.63
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.
4ezi UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 LEU A  67
ALA A 129
MET A 141
ASN A 124
 None
 1.12A 3uq6A-4eziA:
undetectable		 3uq6A-4eziA:
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.
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 3uq6A-4jwvA:
undetectable		 3uq6A-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.
4mrp ABC TRANSPORTER
RELATED PROTEIN

(Novosphingobium
aromaticivorans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 LEU A 311
MET A 280
PHE A 176
ASN A 305
 None
 1.39A 3uq6A-4mrpA:
undetectable		 3uq6A-4mrpA:
20.93
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.
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
 1.24A 3uq6A-4ntmA:
undetectable		 3uq6A-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
 1.40A 3uq6A-4oe6A:
undetectable		 3uq6A-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.
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
 1.42A 3uq6A-4ww3A:
undetectable		 3uq6A-4ww3A:
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.
4xeu TRANSKETOLASE

(Pseudomonas
aeruginosa) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ALA A 151
MET A  33
PHE A  60
ASN A  64
 None
 1.47A 3uq6A-4xeuA:
undetectable		 3uq6A-4xeuA:
21.30
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.
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
 1.22A 3uq6A-4ycrA:
undetectable		 3uq6A-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.
4zgs PUTATIVE D-LACTATE
DEHYDROGENASE

(Chlamydomonas
reinhardtii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A 331
ALA A 145
MET A 262
ASN A 151
 None
 1.45A 3uq6A-4zgsA:
4.2		 3uq6A-4zgsA:
21.40
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.
5a2r ANGIOTENSIN-CONVERTI
NG ENZYME

(Drosophila
melanogaster) 		PF01401
(Peptidase_M2) 		4 LEU A 556
ALA A 567
PHE A 393
ASN A 572
 None
 1.25A 3uq6A-5a2rA:
undetectable		 3uq6A-5a2rA:
20.50
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA
METHYL-COENZYME M
REDUCTASE II,
SUBUNIT BETA

(Methanothermobacter
marburgensis) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 LEU B 332
ALA B 328
MET C 109
ASN B 317
 None
 1.42A 3uq6A-5a8rB:
undetectable		 3uq6A-5a8rB:
22.11
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.
5cs4 ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		4 LEU A1086
ALA A1102
MET A1264
ASN A1223
 None
 1.49A 3uq6A-5cs4A:
undetectable		 3uq6A-5cs4A:
22.15
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.
5e6k POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LEU A 492
ALA A 440
MET A 498
PHE A 442
 None
 1.45A 3uq6A-5e6kA:
undetectable		 3uq6A-5e6kA:
24.12
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.
5ei0 SERPIN A12

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A  74
ALA A 356
PHE A 404
ASN A 206
 None
 1.48A 3uq6A-5ei0A:
undetectable		 3uq6A-5ei0A:
23.06
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.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		4 LEU A 377
ALA A 416
PHE A 414
ASN A 345
 None
 1.45A 3uq6A-5fifA:
3.0		 3uq6A-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.
5fis EXD1

(Bombyx mori) 		PF01612
(DNA_pol_A_exo1) 		4 LEU B 135
ALA B 105
PHE B 102
ASN B 110
 None
 1.40A 3uq6A-5fisB:
undetectable		 3uq6A-5fisB:
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.
5g06 EXOSOME COMPLEX
COMPONENT CSL4

(Saccharomyces
cerevisiae) 		PF10447
(EXOSC1) 		4 LEU I 156
ALA I 193
PHE I 201
ASN I 126
 None
 1.41A 3uq6A-5g06I:
undetectable		 3uq6A-5g06I:
22.19
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.
5g3z ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 LEU A 107
ALA A  93
PHE A 185
ASN A  98
 None
 1.48A 3uq6A-5g3zA:
2.2		 3uq6A-5g3zA:
20.27
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.
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
 1.42A 3uq6A-5hdmA:
undetectable		 3uq6A-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.
5i6e ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		4 LEU A1086
ALA A1102
MET A1264
ASN A1223
 None
 1.45A 3uq6A-5i6eA:
undetectable		 3uq6A-5i6eA:
19.48
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
 1.36A 3uq6A-5j78A:
undetectable		 3uq6A-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.
5lw6 DDB_G0293866

(Dictyostelium
discoideum) 		no annotation 4 LEU A  51
ALA A  46
MET A  64
PHE A 215
 None
 1.44A 3uq6A-5lw6A:
undetectable		 3uq6A-5lw6A:
24.15
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECD

(Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG)
PF13721
(SecD-TM1) 		4 LEU D 483
ALA D 520
MET D 468
ASN D 525
 None
 1.14A 3uq6A-5mg3D:
undetectable		 3uq6A-5mg3D:
19.78
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.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA
METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT GAMMA

(Methanothermococcus
thermolithotrophicus) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 LEU B 332
ALA B 328
MET C 109
ASN B 317
 None
 1.35A 3uq6A-5n1qB:
undetectable		 3uq6A-5n1qB:
22.20
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.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT
METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(Methanotorris
formicicus) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 LEU B 333
ALA B 329
MET C 109
ASN B 318
 None
 1.30A 3uq6A-5n28B:
undetectable		 3uq6A-5n28B:
21.58
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.
5ndf POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		no annotation 4 LEU A 278
ALA A 384
MET A 305
ASN A 335
 None
None
None
EDO  A 604 ( 4.3A)
 1.39A 3uq6A-5ndfA:
undetectable		 3uq6A-5ndfA:
20.90
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.
5vai UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF00002
(7tm_2)
PF02793
(HRM) 		4 LEU R 359
ALA R 399
PHE R 184
ASN R 406
 None
 1.16A 3uq6A-5vaiR:
undetectable		 3uq6A-5vaiR:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vbf NAD-DEPENDENT
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
vietnamiensis) 		PF00171
(Aldedh) 		4 LEU A 415
ALA A 261
MET A 446
ASN A 440
 None
 1.24A 3uq6A-5vbfA:
undetectable		 3uq6A-5vbfA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wai POLYCOMB PROTEIN
SUZ12

(Homo sapiens) 		no annotation 4 LEU B  87
ALA B  89
PHE B  90
ASN B 435
 None
 1.25A 3uq6A-5waiB:
undetectable		 3uq6A-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)
 1.37A 3uq6A-5y7rB:
undetectable		 3uq6A-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
 1.27A 3uq6A-5ys9A:
undetectable		 3uq6A-5ys9A:
12.72
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.
5z0y SERINE
HYDROXYMETHYLTRANSFE
RASE

(Komagataella
phaffii) 		no annotation 4 LEU A  93
ALA A  95
MET A 258
PHE A  96
 None
 1.01A 3uq6A-5z0yA:
undetectable		 3uq6A-5z0yA:
12.90
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.
6byi BETA-MANNOSIDASE

(Xanthomonas
citri) 		no annotation 4 LEU A 166
ALA A  68
MET A 143
ASN A 211
 None
 1.25A 3uq6A-6byiA:
undetectable		 3uq6A-6byiA:
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.
6c4m YERSINOPINE
DEHYDROGENASE

(Yersinia pestis) 		no annotation 4 LEU C 147
ALA C 232
MET C 209
ASN C 199
 None
 1.36A 3uq6A-6c4mC:
3.4		 3uq6A-6c4mC:
15.85
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 4 LEU A  68
ALA A  66
PHE A 377
ASN A 235
 None
 1.44A 3uq6A-6c66A:
undetectable		 3uq6A-6c66A:
13.60
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.
6cc4 SOLUBLE CYTOCHROME
B562, LIPID II
FLIPPASE MURJ
CHIMERA

(Escherichia
coli) 		no annotation 4 LEU A  91
ALA A  94
MET A 233
PHE A  55
 None
 1.41A 3uq6A-6cc4A:
undetectable		 3uq6A-6cc4A:
15.19
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 4 LEU A 162
ALA A 164
MET A 327
PHE A 165
 None
 1.05A 3uq6A-6cczA:
undetectable		 3uq6A-6cczA:
13.91