SIMILAR PATTERNS OF AMINO ACIDS FOR 3UBO_B_ADNB353

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.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		8 ASN A  20
ILE A  22
ASP A  24
GLY A  68
GLY A  69
ASN A  73
LEU A 142
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 ( 4.3A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ADN  A 375 ( 3.1A)
 0.88A 3uboB-1dgmA:
36.2		 3uboB-1dgmA:
28.21
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.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		6 ASP A  24
GLY A  68
ASN A  73
THR A 140
LEU A  46
ASP A 318
 ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ADN  A 375 ( 3.1A)
 1.38A 3uboB-1dgmA:
36.2		 3uboB-1dgmA:
28.21
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.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		8 ILE A  22
ASP A  24
GLY A  68
GLY A  69
ASN A  73
THR A 140
LEU A 142
ASP A 318
 ADN  A 375 ( 4.3A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.9A)
None
ADN  A 375 ( 3.1A)
 0.71A 3uboB-1dgmA:
36.2		 3uboB-1dgmA:
28.21
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A 277
THR A 281
LEU A 348
THR A 258
ASP A 180
 None
 1.09A 3uboB-1h17A:
undetectable		 3uboB-1h17A:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		5 GLY A1277
THR A1281
LEU A1348
THR A1258
ASP A1180
 None
 1.07A 3uboB-1qhmA:
undetectable		 3uboB-1qhmA:
19.12
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.
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)
 0.31A 3uboB-1rk2A:
35.8		 3uboB-1rk2A:
28.07
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 GLY A  41
GLY A  42
ASN A  46
GLU A 143
ASP A 255
 RIB  A 311 (-3.3A)
RIB  A 311 (-3.4A)
RIB  A 311 (-3.3A)
RIB  A 311 (-2.5A)
RIB  A 311 (-3.1A)
 0.82A 3uboB-1rk2A:
35.8		 3uboB-1rk2A:
28.07
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ASP A 138
GLY A 139
GLY A 246
SER A 136
THR A 134
 None
None
None
None
SO4  A 373 (-3.1A)
 0.95A 3uboB-1to6A:
6.0		 3uboB-1to6A:
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.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		6 ASP A  16
GLY A  30
GLY A  31
ASN A  35
THR A 248
ASP A 252
 AIS  A 402 (-2.5A)
AIS  A 402 ( 4.2A)
AIS  A 402 (-3.8A)
AIS  A 402 (-3.9A)
None
AIS  A 402 (-3.0A)
 0.42A 3uboB-1tz6A:
35.2		 3uboB-1tz6A:
27.59
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		6 GLY A  33
GLY A  34
ASN A  38
LEU A 138
GLU A  36
ASP A 251
 None
 1.07A 3uboB-1v19A:
36.1		 3uboB-1v19A:
27.39
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  39
GLY A  40
ASN A  44
ASP A 246
 None
 0.61A 3uboB-1vm7A:
30.7		 3uboB-1vm7A:
23.60
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 GLY A  39
GLY A  40
ASN A  44
GLU A 137
THR A 242
 None
 0.82A 3uboB-1vm7A:
30.7		 3uboB-1vm7A:
23.60
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 GLY A  39
GLY A  40
ASN A  44
THR A 242
ASP A 246
 None
 0.46A 3uboB-1vm7A:
30.7		 3uboB-1vm7A:
23.60
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.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		5 GLY A  34
ASN A  38
GLU A  36
THR A 252
ASP A 256
 None
 0.97A 3uboB-1wyeA:
37.3		 3uboB-1wyeA:
25.27
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.
2a9f PUTATIVE MALIC
ENZYME
((S)-MALATE:NAD+
OXIDOREDUCTASE
(DECARBOXYLATING))

(Streptococcus
pyogenes) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ASN A 320
ILE A 319
GLY A 311
THR A 364
LEU A 323
 None
 1.04A 3uboB-2a9fA:
3.1		 3uboB-2a9fA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASN A   8
ASP A  12
GLY A  36
GLY A  37
ASN A  41
 None
 0.98A 3uboB-2abqA:
26.6		 3uboB-2abqA:
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.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 249
 None
 0.42A 3uboB-2abqA:
26.6		 3uboB-2abqA:
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 GLY A  32
GLY A  33
ASN A  37
LEU A 139
GLU A  35
ASP A 280
 None
 1.01A 3uboB-2afbA:
32.7		 3uboB-2afbA:
24.38
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  39
GLY A  40
ASN A  44
ASP A 261
 None
ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
 0.88A 3uboB-2ajrA:
25.5		 3uboB-2ajrA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		6 ASP A  17
GLY A  42
GLY A  43
ASN A  47
THR A 243
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
ANP  A1304 (-4.3A)
ADN  A1301 (-2.9A)
 0.36A 3uboB-2c49A:
33.1		 3uboB-2c49A:
25.20
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.
2cff 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)
METHYLIDENEAMINO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Thermotoga
maritima) 		PF00977
(His_biosynth) 		6 ILE A 197
GLY A 195
GLY A 196
LEU A 231
GLU A 174
THR A 180
 None
 1.18A 3uboB-2cffA:
2.7		 3uboB-2cffA:
22.07
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		6 GLY A 241
ASN A  79
THR A 286
LEU A 284
GLU A  82
THR A 179
 None
 1.39A 3uboB-2dpnA:
undetectable		 3uboB-2dpnA:
23.11
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 255
 None
None
None
None
None
ATP  A 411 (-4.1A)
 1.16A 3uboB-2f02A:
26.2		 3uboB-2f02A:
23.43
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  36
GLY A  37
ASN A  41
SER A  90
ASP A 255
 None
None
None
None
None
ATP  A 411 (-4.1A)
 1.01A 3uboB-2f02A:
26.2		 3uboB-2f02A:
23.43
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.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
THR A 291
ASP A 255
 None
None
None
None
ATP  A 411 (-4.1A)
 0.99A 3uboB-2f02A:
26.2		 3uboB-2f02A:
23.43
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		5 ILE A  57
GLY A 581
GLY A 582
ASN A 585
THR A  60
 FAD  A1625 (-4.0A)
None
FAD  A1625 ( 3.9A)
None
None
 0.93A 3uboB-2f5vA:
2.8		 3uboB-2f5vA:
20.23
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.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
 0.61A 3uboB-2i6bA:
33.2		 3uboB-2i6bA:
27.04
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.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		6 ASN A  14
ASP A  18
GLY A  63
GLY A  64
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
89I  A 500 (-4.4A)
None
 0.87A 3uboB-2i6bA:
33.2		 3uboB-2i6bA:
27.04
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASN A   8
ASP A  12
GLY A  36
GLY A  37
ASN A  41
 None
 1.08A 3uboB-2jg5A:
26.0		 3uboB-2jg5A:
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.
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 3uboB-2jg5A:
26.0		 3uboB-2jg5A:
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.
2k8o INTEGRIN ALPHA-L

(Homo sapiens) 		PF00357
(Integrin_alpha) 		5 ILE A  14
ASP A  59
GLY A  56
GLY A  19
LEU A  10
 None
 1.01A 3uboB-2k8oA:
undetectable		 3uboB-2k8oA:
12.20
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.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  37
GLY A  38
ASN A  42
ASP A 253
 None
None
CL  A 403 (-3.5A)
None
None
 0.94A 3uboB-2nwhA:
26.5		 3uboB-2nwhA:
29.49
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASP A  22
GLY A  43
GLY A  44
ASN A  48
ASP A 272
 None
None
None
None
PGE  A 332 (-3.6A)
 0.40A 3uboB-2qcvA:
35.4		 3uboB-2qcvA:
27.23
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 GLY A  43
GLY A  44
ASN A  48
LEU A 123
ASP A 272
 None
None
None
None
PGE  A 332 (-3.6A)
 0.81A 3uboB-2qcvA:
35.4		 3uboB-2qcvA:
27.23
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.
2r8a LONG-CHAIN FATTY
ACID TRANSPORT
PROTEIN

(Escherichia
coli) 		PF03349
(Toluene_X) 		5 GLY A 119
GLY A 118
LEU A  68
GLU A 399
THR A 197
 None
 1.04A 3uboB-2r8aA:
undetectable		 3uboB-2r8aA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v7y CHAPERONE PROTEIN
DNAK

(Geobacillus
kaustophilus) 		PF00012
(HSP70) 		5 ASN A 194
GLY A 170
GLY A 171
SER A  66
ASP A 200
 None
ADP  A1505 (-3.5A)
None
None
None
 0.99A 3uboB-2v7yA:
undetectable		 3uboB-2v7yA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		5 GLY A  34
ASN A  38
GLU A  36
THR A 254
ASP A 258
 KDG  A1313 ( 3.3A)
KDF  A1314 ( 4.2A)
None
ANP  A1315 ( 4.6A)
KDF  A1314 (-2.8A)
 0.76A 3uboB-2varA:
36.8		 3uboB-2varA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		5 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.07A 3uboB-2xsgA:
undetectable		 3uboB-2xsgA:
19.25
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 249
ASP A 253
 AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
None
AMP  A 501 (-2.8A)
 0.56A 3uboB-3b1rA:
31.6		 3uboB-3b1rA:
25.27
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 GLY A  40
GLY A  41
ASN A  45
GLU A 139
ASP A 258
 None
 0.49A 3uboB-3b3lA:
27.5		 3uboB-3b3lA:
26.57
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.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 143
GLY A 288
GLY A 193
ASN A 165
ASP A 168
 None
 0.99A 3uboB-3czmA:
6.1		 3uboB-3czmA:
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		6 ASP A  13
GLY A  33
GLY A  34
ASN A  38
LEU A 167
ASP A 247
 None
 1.08A 3uboB-3ewmA:
33.1		 3uboB-3ewmA:
28.16
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		6 GLY A  33
GLY A  34
ASN A  38
LEU A 167
THR A 243
ASP A 247
 None
 1.19A 3uboB-3ewmA:
33.1		 3uboB-3ewmA:
28.16
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.
3fxg RHAMNONATE
DEHYDRATASE

(Fusarium
graminearum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A  38
GLY A  33
GLY A  32
SER A  54
THR A  56
 None
 1.04A 3uboB-3fxgA:
undetectable		 3uboB-3fxgA:
24.48
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ASP A  25
GLY A  50
GLY A  51
ASN A  55
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 (-2.9A)
 0.34A 3uboB-3go7A:
31.7		 3uboB-3go7A:
28.46
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.
3gx8 MONOTHIOL
GLUTAREDOXIN-5,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00462
(Glutaredoxin) 		5 ILE A 120
GLY A 115
THR A  66
LEU A  70
THR A 103
 None
 0.94A 3uboB-3gx8A:
undetectable		 3uboB-3gx8A:
17.13
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.
3hbz PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		5 ILE A 203
GLY A 204
GLY A 222
LEU A 355
THR A  43
 None
 0.85A 3uboB-3hbzA:
undetectable		 3uboB-3hbzA:
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 ASP A  33
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.42A 3uboB-3hj6A:
28.8		 3uboB-3hj6A:
25.67
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  37
GLY A  38
ASN A  42
THR A 107
THR A 228
 None
 0.80A 3uboB-3i3yA:
27.2		 3uboB-3i3yA:
25.97
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  37
GLY A  38
ASN A  42
THR A 228
ASP A 232
 None
 0.80A 3uboB-3i3yA:
27.2		 3uboB-3i3yA:
25.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		6 ILE A  13
ASP A  15
GLY A  41
GLY A  42
ASN A  46
ASP A 260
 None
 0.86A 3uboB-3in1A:
32.4		 3uboB-3in1A:
30.30
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  26
GLY A  27
THR A 233
ASP A 237
 AMP  A 509 (-2.8A)
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
AMP  A 509 ( 4.8A)
AMP  A 509 ( 3.3A)
 0.99A 3uboB-3kd6A:
29.5		 3uboB-3kd6A:
24.73
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.
3kzh PROBABLE SUGAR
KINASE

(Clostridium
perfringens) 		PF00294
(PfkB) 		5 GLY A  42
GLY A  43
ASN A  47
THR A 253
ASP A 257
 None
 0.54A 3uboB-3kzhA:
28.7		 3uboB-3kzhA:
24.27
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.
3lhx KETODEOXYGLUCONOKINA
SE

(Shigella
flexneri) 		PF00294
(PfkB) 		5 GLY A 100
GLY A 101
ASN A 105
THR A 333
ASP A 337
 None
 0.52A 3uboB-3lhxA:
30.5		 3uboB-3lhxA:
27.23
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.
3lki FRUCTOKINASE

(Xylella
fastidiosa) 		PF00294
(PfkB) 		5 ASN A 146
ASP A  24
GLY A  44
GLY A  45
ASN A  49
 None
 0.92A 3uboB-3lkiA:
26.2		 3uboB-3lkiA:
27.98
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.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		7 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
LEU A 137
ASP A 300
 B4P  A 349 ( 4.0A)
B4P  A 349 (-2.8A)
B4P  A 349 ( 3.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
None
B4P  A 349 (-3.4A)
 0.49A 3uboB-3looA:
39.5		 3uboB-3looA:
29.34
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.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		5 ASP A  18
GLY A  64
ASN A  68
LEU A  40
ASP A 300
 B4P  A 349 (-2.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
None
B4P  A 349 (-3.4A)
 1.01A 3uboB-3looA:
39.5		 3uboB-3looA:
29.34
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.
3n54 SPORE GERMINATION
PROTEIN B3

(Bacillus
subtilis) 		PF05504
(Spore_GerAC) 		5 ILE B 253
GLY B 237
GLY B 238
SER B 256
THR B 277
 None
 0.98A 3uboB-3n54B:
undetectable		 3uboB-3n54B:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3of7 REGULATOR OF
CHROMOSOME
CONDENSATION

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 ASN A 450
ILE A 452
GLY A 464
GLY A 465
SER A  42
 None
 0.91A 3uboB-3of7A:
undetectable		 3uboB-3of7A:
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.
3orf DIHYDROPTERIDINE
REDUCTASE

(Dictyostelium
discoideum) 		PF00106
(adh_short) 		5 GLY A  76
GLY A  77
ASN A  99
THR A 175
THR A 123
 NAD  A 901 (-3.6A)
NAD  A 901 (-4.3A)
NAD  A 901 (-4.0A)
NAD  A 901 (-3.2A)
NAD  A 901 ( 4.1A)
 1.09A 3uboB-3orfA:
5.8		 3uboB-3orfA:
21.74
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.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		7 ASN A  13
ASP A  17
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)
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 0.54A 3uboB-3otxA:
39.5		 3uboB-3otxA:
28.96
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.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  63
ASN A  67
LEU A  39
ASP A 299
 AP5  A 346 (-2.8A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
None
AP5  A 346 ( 3.2A)
 1.07A 3uboB-3otxA:
39.5		 3uboB-3otxA:
28.96
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.
3pkj NAD-DEPENDENT
DEACETYLASE
SIRTUIN-6

(Homo sapiens) 		PF02146
(SIR2) 		5 ILE A  53
GLY A 212
GLY A  52
THR A  90
LEU A 116
 None
A2N  A1000 (-3.5A)
A2N  A1000 (-3.3A)
None
None
 1.09A 3uboB-3pkjA:
4.9		 3uboB-3pkjA:
22.66
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 ASP A  19
GLY A  40
GLY A  41
ASN A  45
ASP A 264
 None
 0.37A 3uboB-3pl2A:
34.6		 3uboB-3pl2A:
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 ASN A   8
ASP A  12
GLY A  37
GLY A  38
ASP A 251
 None
 1.01A 3uboB-3q1yA:
27.1		 3uboB-3q1yA:
24.23
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.
3qg5 RAD50

(Thermotoga
maritima) 		PF13476
(AAA_23)
PF13558
(SbcCD_C) 		5 GLY A 751
GLY A 752
SER A 151
LEU A 779
ASP A 748
 None
 1.02A 3uboB-3qg5A:
undetectable		 3uboB-3qg5A:
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.
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
 0.58A 3uboB-3ry7A:
28.4		 3uboB-3ry7A:
25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 GLY A  40
GLY A  41
ASN A  45
GLU A 142
ASP A 254
 GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
GOL  A 401 (-2.8A)
None
 1.01A 3uboB-3ry7A:
28.4		 3uboB-3ry7A:
25.26
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.
3upu ATP-DEPENDENT DNA
HELICASE DDA

(Escherichia
virus T4) 		PF13604
(AAA_30) 		5 ILE A 141
GLY A 142
THR A  42
GLU A 116
THR A  36
 None
 1.11A 3uboB-3upuA:
undetectable		 3uboB-3upuA:
22.08
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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		8 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
THR A 136
LEU A 138
ASP A 302
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.1A)
ADN  A 401 (-4.9A)
ADN  A 401 (-2.9A)
 0.50A 3uboB-3vasA:
40.5		 3uboB-3vasA:
25.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		12 ASN A   9
ILE A  11
ASP A  13
GLY A  56
GLY A  57
ASN A  61
SER A 113
THR A 127
LEU A 129
GLU A 154
THR A 272
ASP A 276
 ADN  A 500 (-3.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 ( 3.8A)
ADN  A 500 (-3.0A)
None
ADN  A 500 (-3.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-2.8A)
 0.20A 3uboB-4e3aA:
59.3		 3uboB-4e3aA:
71.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		7 ASP A  13
ASN A  61
SER A 113
THR A 127
LEU A  35
THR A 272
ASP A 276
 ADN  A 500 (-2.7A)
ADN  A 500 (-3.5A)
ADN  A 500 ( 3.8A)
ADN  A 500 (-3.0A)
None
ADN  A 500 (-4.6A)
ADN  A 500 (-2.8A)
 1.42A 3uboB-4e3aA:
59.3		 3uboB-4e3aA:
71.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		7 ILE A  11
GLY A  56
ASN A  61
SER A 113
THR A 127
LEU A 129
THR A 272
 ADN  A 500 (-3.6A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.5A)
ADN  A 500 ( 3.8A)
ADN  A 500 (-3.0A)
None
ADN  A 500 (-4.6A)
 1.12A 3uboB-4e3aA:
59.3		 3uboB-4e3aA:
71.88
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.
4eb5 PROBABLE CYSTEINE
DESULFURASE 2

(Archaeoglobus
fulgidus) 		PF00266
(Aminotran_5) 		5 ASN A 281
ILE A 151
GLY A 152
LEU A 337
THR A   7
 None
 1.00A 3uboB-4eb5A:
3.3		 3uboB-4eb5A:
22.74
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		6 GLY A  33
GLY A  34
ASN A  38
LEU A 140
GLU A  36
ASP A 270
 GOL  A 401 ( 4.1A)
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
None
None
GOL  A 401 (-3.0A)
 0.99A 3uboB-4gm6A:
30.8		 3uboB-4gm6A:
23.17
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.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE

(Thermococcus
kodakarensis) 		PF01941
(AdoMet_Synthase) 		5 GLY A 282
GLY A  72
SER A 278
THR A 277
LEU A 126
 None
 1.10A 3uboB-4l4qA:
undetectable		 3uboB-4l4qA:
23.57
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.
4owt INTEGRATOR COMPLEX
SUBUNIT 3

(Homo sapiens) 		PF10189
(Ints3) 		5 ASP A 218
GLY A 174
GLY A 173
LEU A 183
ASP A 348
 None
 0.91A 3uboB-4owtA:
undetectable		 3uboB-4owtA:
19.67
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		6 ASP A  12
GLY A  47
GLY A  48
ASN A  52
THR A 253
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 (-4.4A)
HO4  A 401 (-3.3A)
 0.46A 3uboB-4pvvA:
29.6		 3uboB-4pvvA:
25.48
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.
4v1y ATRAZINE
CHLOROHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 ILE A 338
GLY A 339
SER A 118
LEU A 395
THR A 326
 None
 0.96A 3uboB-4v1yA:
3.4		 3uboB-4v1yA:
23.52
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		6 ASP A  11
GLY A  29
GLY A  30
ASN A  34
LEU A 162
ASP A 249
 None
None
None
None
None
ANP  A 401 ( 4.3A)
 1.26A 3uboB-4wjmA:
31.5		 3uboB-4wjmA:
23.96
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.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		6 ASP A  13
GLY A  38
GLY A  39
ASN A  43
THR A 248
ASP A 252
 None
 0.73A 3uboB-4x8fA:
30.5		 3uboB-4x8fA:
27.22
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.
4xf7 CARBOHYDRATE/PYRIMID
INE KINASE, PFKB
FAMILY

(Thermococcus
kodakarensis) 		no annotation 5 ASP A  12
GLY A  25
GLY A  26
THR A 215
ASP A 219
 INS  A 301 (-2.8A)
INS  A 301 (-3.1A)
INS  A 301 (-3.1A)
INS  A 301 (-4.7A)
INS  A 301 (-2.7A)
 0.81A 3uboB-4xf7A:
24.4		 3uboB-4xf7A:
23.48
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.
4y6o NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		5 ILE A  87
GLY A 261
GLY A  86
THR A 146
LEU A 172
 None
 1.02A 3uboB-4y6oA:
4.3		 3uboB-4y6oA:
23.88
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ASN A2668
ILE A2669
GLY A2560
GLY A2670
LEU A2345
 None
 1.05A 3uboB-4z37A:
undetectable		 3uboB-4z37A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ASN A 899
ILE A 900
GLY A 791
GLY A 901
LEU A 577
 None
 1.09A 3uboB-4zdnA:
undetectable		 3uboB-4zdnA:
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.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		7 ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLU A 154
THR A 265
ASP A 269
 None
None
None
None
None
None
NA  A 403 ( 4.7A)
 1.11A 3uboB-5c41A:
33.1		 3uboB-5c41A:
27.42
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.
5dld UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Burkholderia
vietnamiensis) 		PF02350
(Epimerase_2) 		5 ILE A 294
GLY A 292
GLY A 293
THR A 212
LEU A 210
 None
UDP  A 501 (-3.7A)
UDP  A 501 (-3.7A)
UDP  A 501 (-4.7A)
None
 1.02A 3uboB-5dldA:
6.1		 3uboB-5dldA:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		6 ASP A  30
GLY A  44
GLY A  45
ASN A  49
THR A 262
ASP A 266
 None
None
None
None
NA  A 401 (-4.9A)
None
 0.54A 3uboB-5ey7A:
34.5		 3uboB-5ey7A:
25.20
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.
5fkc BETA-FRUCTOFURANOSID
ASE

(Xanthophyllomyces
dendrorhous) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 GLY A 253
GLY A 218
ASN A 301
THR A 163
GLU A 176
 None
 1.08A 3uboB-5fkcA:
undetectable		 3uboB-5fkcA:
20.23
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.
5fyq NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		5 ILE A  87
GLY A 261
GLY A  86
THR A 146
LEU A 172
 None
 0.90A 3uboB-5fyqA:
5.0		 3uboB-5fyqA:
24.49
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.
5ix1 MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
3

(Mus musculus) 		PF07496
(zf-CW)
PF13589
(HATPase_c_3) 		5 ASN A 121
ASP A  67
GLY A  69
THR A 119
ASP A  44
 None
ANP  A 502 (-3.6A)
None
None
ANP  A 502 (-4.0A)
 1.02A 3uboB-5ix1A:
undetectable		 3uboB-5ix1A:
21.25
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.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 5 ASP A 236
GLY A 237
THR A 148
GLU A 250
THR A 290
 None
 1.06A 3uboB-5mzsA:
undetectable		 3uboB-5mzsA:
15.55
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.
5obu CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 5 ASN A 204
GLY A 180
GLY A 181
SER A  70
ASP A 210
 None
ANP  A 602 (-3.4A)
ANP  A 602 (-3.5A)
None
None
 1.07A 3uboB-5obuA:
undetectable		 3uboB-5obuA:
12.43
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.
5obw CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 5 ASN A 204
GLY A 180
GLY A 181
SER A  70
ASP A 210
 GOL  A 410 ( 3.9A)
ADP  A 402 (-3.5A)
None
None
None
 0.94A 3uboB-5obwA:
undetectable		 3uboB-5obwA:
12.43
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 6 ASP A  16
GLY A  41
GLY A  42
ASN A  46
THR A 269
ASP A 273
 GOL  A 400 (-2.8A)
GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
GOL  A 400 ( 4.9A)
None
 0.33A 3uboB-6cw5A:
30.6		 3uboB-6cw5A:
11.58
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 5 GLY A  41
GLY A  42
ASN A  46
GLU A 138
ASP A 273
 GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
GOL  A 400 (-2.8A)
None
 0.89A 3uboB-6cw5A:
30.6		 3uboB-6cw5A:
11.58
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 ILE L 215
GLY L 210
GLY L 209
THR L  66
LEU L  70
 None
 1.00A 3uboB-6ehsL:
undetectable		 3uboB-6ehsL:
13.90
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.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 5 ILE A  55
ASP A  51
GLY A  54
ASN A   3
ASP A   2
 None
None
None
CIT  A 502 (-3.8A)
None
 1.07A 3uboB-6enoA:
undetectable		 3uboB-6enoA:
15.82
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.
6g0c UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA

(Legionella
pneumophila) 		no annotation 5 ILE A 779
ASP A 780
GLY A 777
LEU A 880
GLU A 772
 None
 0.86A 3uboB-6g0cA:
undetectable		 3uboB-6g0cA:
14.89
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.
1ae1 TROPINONE
REDUCTASE-I

(Datura
stramonium) 		PF13561
(adh_short_C2) 		4 SER A 158
ILE A  33
TYR A 171
GLY A 202
 NAP  A 274 (-3.4A)
NAP  A 274 (-3.9A)
NAP  A 274 (-4.7A)
None
 0.96A 3uboB-1ae1A:
7.1		 3uboB-1ae1A:
22.00
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.
1g0n TRIHYDROXYNAPHTHALEN
E REDUCTASE

(Magnaporthe
grisea) 		PF13561
(adh_short_C2) 		4 SER A 164
ILE A  41
TYR A 178
GLY A 209
 PHH  A 402 (-2.2A)
NDP  A 400 (-4.1A)
PHH  A 402 ( 4.0A)
PHH  A 402 (-4.3A)
 1.05A 3uboB-1g0nA:
6.6		 3uboB-1g0nA:
22.97
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.
1h74 HOMOSERINE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 SER A  97
ILE A 176
GLY A  88
PRO A  32
 ADP  A 400 (-3.5A)
None
None
None
 1.04A 3uboB-1h74A:
undetectable		 3uboB-1h74A:
21.86
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.
1ipf TROPINONE
REDUCTASE-II

(Datura
stramonium) 		PF13561
(adh_short_C2) 		4 SER A 146
ILE A  21
TYR A 159
GLY A 190
 TNE  A 262 ( 2.9A)
NDP  A 261 (-4.1A)
TNE  A 262 ( 4.2A)
NDP  A 261 ( 4.9A)
 0.96A 3uboB-1ipfA:
6.4		 3uboB-1ipfA:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ipf TROPINONE
REDUCTASE-II

(Datura
stramonium) 		PF13561
(adh_short_C2) 		4 SER A 148
ILE A 144
TYR A 159
GLY A 190
 TNE  A 262 (-2.9A)
NDP  A 261 (-4.6A)
TNE  A 262 ( 4.2A)
NDP  A 261 ( 4.9A)
 0.99A 3uboB-1ipfA:
6.4		 3uboB-1ipfA:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j8s PYELONEPHRITIC
ADHESIN

(Escherichia
coli) 		PF03627
(PapG_N) 		4 SER A 165
ILE A   4
TYR A 166
GLY A  46
 None
 0.97A 3uboB-1j8sA:
undetectable		 3uboB-1j8sA:
19.50
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.
1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE

(Magnaporthe
grisea) 		PF13561
(adh_short_C2) 		4 SER A 164
ILE A  41
TYR A 178
GLY A 209
 PYQ  A 406 ( 2.7A)
NDP  A 402 (-4.0A)
PYQ  A 406 ( 4.3A)
PYQ  A 406 (-4.1A)
 0.99A 3uboB-1ja9A:
6.7		 3uboB-1ja9A:
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.
1jjf ENDO-1,4-BETA-XYLANA
SE Z

(Ruminiclostridium
thermocellum) 		PF00756
(Esterase) 		4 ILE A 168
TYR A 202
GLY A 175
PRO A 194
 None
 1.03A 3uboB-1jjfA:
3.2		 3uboB-1jjfA:
20.05
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.
1ktw IOTA-CARRAGEENASE

(Alteromonas sp.
ATCC 43554) 		PF12708
(Pectate_lyase_3) 		4 SER A 201
ILE A 262
TYR A 170
GLY A 225
 None
 0.97A 3uboB-1ktwA:
undetectable		 3uboB-1ktwA:
23.57
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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 SER A 214
ILE A 275
TYR A 339
GLY A 245
 None
 1.01A 3uboB-1mdfA:
undetectable		 3uboB-1mdfA:
20.92
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.
1mg5 ALCOHOL
DEHYDROGENASE

(Drosophila
melanogaster) 		PF00106
(adh_short) 		4 SER A 139
ILE A  18
TYR A 152
GLY A 183
 ACT  A 900 ( 2.9A)
NAI  A 850 (-3.9A)
ACT  A 900 ( 4.2A)
NAI  A 850 (-4.9A)
 1.06A 3uboB-1mg5A:
4.8		 3uboB-1mg5A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n5d CARBONYL
REDUCTASE/20BETA-HYD
ROXYSTEROID
DEHYDROGENASE

(Sus scrofa) 		PF00106
(adh_short) 		4 SER A 139
ILE A  16
TYR A 193
GLY A 228
 NDP  A 300 (-3.5A)
NDP  A 300 (-3.6A)
NDP  A 300 (-4.8A)
None
 0.94A 3uboB-1n5dA:
5.9		 3uboB-1n5dA:
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.
1uxt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
(NADP+)

(Thermoproteus
tenax) 		PF00171
(Aldedh) 		4 SER A 322
ILE A 289
GLY A 365
PRO A 376
 None
 1.00A 3uboB-1uxtA:
3.2		 3uboB-1uxtA:
22.74
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.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		4 SER A 140
ILE A  27
TYR A 153
GLY A 184
 None
NAP  A1249 (-4.1A)
None
None
 0.94A 3uboB-1uznA:
6.6		 3uboB-1uznA:
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.
1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG

(Clostridium
acetobutylicum) 		PF04321
(RmlD_sub_bind) 		4 SER A 100
ILE A  96
GLY A 132
PRO A  82
 None
 1.02A 3uboB-1vl0A:
3.8		 3uboB-1vl0A:
20.11
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.
1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		4 SER A 129
ILE A  14
TYR A 144
GLY A 175
 None
 0.90A 3uboB-1x1eA:
7.0		 3uboB-1x1eA:
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.
1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
brevis) 		PF13561
(adh_short_C2) 		4 SER A 142
ILE A  18
TYR A 155
GLY A 188
 NAI  A1270 ( 3.8A)
NAI  A1270 (-3.6A)
SS2  A1260 ( 4.2A)
None
 1.02A 3uboB-1zjyA:
6.5		 3uboB-1zjyA:
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.
2a9f PUTATIVE MALIC
ENZYME
((S)-MALATE:NAD+
OXIDOREDUCTASE
(DECARBOXYLATING))

(Streptococcus
pyogenes) 		PF00390
(malic)
PF03949
(Malic_M) 		4 SER A 277
ILE A 285
GLY A 304
PRO A 283
 None
 1.05A 3uboB-2a9fA:
3.1		 3uboB-2a9fA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		4 SER A 401
ILE A 406
TYR A 382
GLY A 427
 None
 0.97A 3uboB-2aaaA:
4.2		 3uboB-2aaaA:
20.12
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.
2c07 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		4 SER A 199
ILE A  75
TYR A 212
GLY A 243
 None
 1.05A 3uboB-2c07A:
6.5		 3uboB-2c07A:
20.73
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.
2d07 G/T
MISMATCH-SPECIFIC
THYMINE DNA
GLYCOSYLASE

(Homo sapiens) 		PF03167
(UDG) 		4 SER A 272
ILE A 139
TYR A 152
GLY A 231
 None
 1.03A 3uboB-2d07A:
undetectable		 3uboB-2d07A:
20.33
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.
2hrb CARBONYL REDUCTASE
[NADPH] 3

(Homo sapiens) 		PF00106
(adh_short) 		4 SER A 140
ILE A  17
TYR A 194
GLY A 229
 NAP  A1001 ( 4.0A)
NAP  A1001 (-3.8A)
NAP  A1001 ( 4.7A)
None
 0.93A 3uboB-2hrbA:
5.8		 3uboB-2hrbA:
23.36
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.
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Homo sapiens) 		PF00106
(adh_short) 		4 SER A 170
ILE A  46
TYR A 183
GLY A 216
 NN4  A 911 ( 2.8A)
NAP  A 901 (-4.0A)
NN4  A 911 ( 4.0A)
NN4  A 911 (-4.1A)
 1.04A 3uboB-2irwA:
6.7		 3uboB-2irwA:
20.72
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.
2m0y DEDICATOR OF
CYTOKINESIS PROTEIN
1

(Mus musculus) 		PF14604
(SH3_9) 		4 SER A  63
ILE A  38
TYR A  64
GLY A  44
 None
 1.05A 3uboB-2m0yA:
undetectable		 3uboB-2m0yA:
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.
2mev MENGO VIRUS COAT
PROTEIN (SUBUNIT
VP3)

(Cardiovirus A) 		PF00073
(Rhv) 		4 ILE 3 165
TYR 3 104
GLY 3 185
PRO 3 131
 None
 1.03A 3uboB-2mev3:
undetectable		 3uboB-2mev3:
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.
2o04 PECTATE LYASE

(Bacillus
subtilis) 		PF00544
(Pec_lyase_C) 		4 SER A 316
ILE A 250
GLY A 311
PRO A 281
 None
ADA  A 401 (-4.3A)
None
None
 1.05A 3uboB-2o04A:
undetectable		 3uboB-2o04A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oua SERINE PROTEASE

(Nocardiopsis
alba) 		PF00089
(Trypsin) 		4 SER A 110
ILE A  16
GLY A 108
PRO A  50
 None
 0.83A 3uboB-2ouaA:
undetectable		 3uboB-2ouaA:
19.66
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.
2p68 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Aquifex
aeolicus) 		PF13561
(adh_short_C2) 		4 SER A 144
ILE A  19
TYR A 157
GLY A 188
 None
 1.02A 3uboB-2p68A:
6.5		 3uboB-2p68A:
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.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		4 SER A 139
ILE A  13
TYR A 152
GLY A 183
 None
 1.03A 3uboB-2ph3A:
7.2		 3uboB-2ph3A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qwu INTRACELLULAR GROWTH
LOCUS, SUBUNIT C

(Francisella
tularensis) 		PF11550
(IglC) 		4 SER A 157
ILE A 120
GLY A 182
PRO A 150
 None
 0.86A 3uboB-2qwuA:
undetectable		 3uboB-2qwuA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uvd 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		4 SER A 141
ILE A  16
TYR A 154
GLY A 185
 None
 1.00A 3uboB-2uvdA:
6.9		 3uboB-2uvdA:
20.82
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		4 SER A 799
ILE A 807
GLY A 764
PRO A 742
 MG  A1939 (-4.4A)
None
None
None
 1.04A 3uboB-2yhgA:
undetectable		 3uboB-2yhgA:
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		4 SER A 370
ILE A 250
TYR A 383
GLY A 410
 None
 1.04A 3uboB-2z5lA:
5.0		 3uboB-2z5lA:
24.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zat DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 4

(Sus scrofa) 		PF13561
(adh_short_C2) 		4 SER A 151
ILE A  26
TYR A 164
GLY A 195
 NAP  A1261 ( 3.4A)
NAP  A1261 ( 3.7A)
NAP  A1261 ( 4.6A)
None
 1.04A 3uboB-2zatA:
7.1		 3uboB-2zatA:
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.
3ai2 NADPH-SORBOSE
REDUCTASE

(Gluconobacter
frateurii) 		PF13561
(adh_short_C2) 		4 SER A 144
ILE A  19
TYR A 157
GLY A 188
 NDP  A 270 ( 3.7A)
NDP  A 270 (-3.7A)
NDP  A 270 (-4.6A)
None
 1.03A 3uboB-3ai2A:
7.1		 3uboB-3ai2A:
21.95
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.
3bhi CARBONYL REDUCTASE
[NADPH] 1

(Homo sapiens) 		PF00106
(adh_short) 		4 SER A 139
ILE A  16
TYR A 193
GLY A 228
 NAP  A 309 ( 3.8A)
NAP  A 309 (-3.8A)
NAP  A 309 (-4.8A)
CL  A 308 ( 3.9A)
 0.94A 3uboB-3bhiA:
5.5		 3uboB-3bhiA:
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.
3dwf 11-BETA-HYDROXYSTERO
ID DEHYDROGENASE 1

(Cavia porcellus) 		PF00106
(adh_short) 		4 SER A 170
ILE A  46
TYR A 183
GLY A 216
 NAP  A 301 (-3.4A)
NAP  A 301 (-3.8A)
NAP  A 301 (-4.8A)
GOL  A   9 (-4.6A)
 1.04A 3uboB-3dwfA:
6.5		 3uboB-3dwfA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f1k UNCHARACTERIZED
OXIDOREDUCTASE YCIK

(Escherichia
coli) 		PF00106
(adh_short) 		4 SER A 152
ILE A  24
TYR A 165
GLY A 195
 NAP  A 300 ( 3.7A)
NAP  A 300 (-3.5A)
NAP  A 300 (-4.6A)
NAP  A 300 (-4.7A)
 0.93A 3uboB-3f1kA:
5.8		 3uboB-3f1kA:
21.33
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.
3hba PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Shewanella
denitrificans) 		PF01380
(SIS) 		4 SER A 102
ILE A 133
GLY A 100
PRO A 129
 None
 0.82A 3uboB-3hbaA:
3.8		 3uboB-3hbaA:
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		4 SER A 827
ILE A 688
TYR A 839
GLY A 870
 None
 1.02A 3uboB-3hmjA:
4.5		 3uboB-3hmjA:
11.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i1j OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Pseudomonas
syringae group
genomosp. 3) 		PF00106
(adh_short) 		4 SER A 153
ILE A  25
TYR A 166
GLY A 198
 ACT  A 248 (-2.4A)
None
EDO  A 249 (-4.4A)
None
 0.90A 3uboB-3i1jA:
6.3		 3uboB-3i1jA:
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.
3iah SHORT CHAIN
DEHYDROGENASE YCIK

(Salmonella
enterica) 		PF00106
(adh_short) 		4 SER A 152
ILE A  24
TYR A 165
GLY A 196
 ACT  A 255 (-2.6A)
NAP  A 254 (-3.9A)
ACT  A 255 ( 4.3A)
NAP  A 254 (-4.6A)
 0.85A 3uboB-3iahA:
5.6		 3uboB-3iahA:
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.
3icc PUTATIVE
3-OXOACYL-(ACYL
CARRIER PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		4 SER A 145
ILE A  16
TYR A 158
GLY A 189
 SER  A 145 (-0.0A)
ILE  A  16 (-0.7A)
TYR  A 158 (-1.3A)
GLY  A 189 (-0.0A)
 1.04A 3uboB-3iccA:
6.9		 3uboB-3iccA:
23.16
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.
3lyl 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		4 SER A 141
ILE A  17
TYR A 154
GLY A 185
 None
 1.00A 3uboB-3lylA:
6.9		 3uboB-3lylA:
20.17
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.
3o03 DEHYDROGENASE WITH
DIFFERENT
SPECIFICITIES

(Streptococcus
suis) 		PF13561
(adh_short_C2) 		4 SER A 150
ILE A  26
TYR A 163
GLY A 194
 GCO  A 274 ( 2.6A)
NAP  A 273 (-3.8A)
GCO  A 274 ( 4.2A)
CA  A 272 (-4.5A)
 0.94A 3uboB-3o03A:
6.6		 3uboB-3o03A:
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.
3o26 SALUTARIDINE
REDUCTASE

(Papaver
somniferum) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		4 SER A 180
ILE A  24
TYR A 236
GLY A 265
 NDP  A 312 ( 4.3A)
NDP  A 312 (-3.9A)
NDP  A 312 (-4.7A)
None
 0.80A 3uboB-3o26A:
6.5		 3uboB-3o26A:
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.
3osu 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Staphylococcus
aureus) 		PF13561
(adh_short_C2) 		4 SER A 141
ILE A  16
TYR A 154
GLY A 185
 PEG  A 247 ( 4.5A)
None
PEG  A 247 (-4.2A)
None
 1.04A 3uboB-3osuA:
6.7		 3uboB-3osuA:
24.29
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.
3pv4 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 SER A 193
ILE A  20
GLY A  67
PRO A 148
 None
 1.04A 3uboB-3pv4A:
undetectable		 3uboB-3pv4A:
21.66
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.
3rwb PYRIDOXAL
4-DEHYDROGENASE

(Mesorhizobium
loti) 		PF13561
(adh_short_C2) 		4 SER A 141
ILE A  19
TYR A 154
GLY A 185
 4PL  A 252 (-2.7A)
NAD  A 251 (-3.9A)
NAD  A 251 ( 4.5A)
4PL  A 252 (-4.2A)
 0.93A 3uboB-3rwbA:
7.0		 3uboB-3rwbA:
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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 SER A 145
ILE A  20
TYR A 159
GLY A 190
 NAP  A 601 (-3.3A)
NAP  A 601 (-3.9A)
NAP  A 601 (-4.7A)
None
 0.93A 3uboB-3toxA:
6.3		 3uboB-3toxA:
28.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tzq SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
marinum) 		no annotation 4 SER B 142
ILE B  19
TYR B 155
GLY B 186
 GOL  B 268 ( 3.8A)
None
None
GOL  B 268 (-3.7A)
 0.90A 3uboB-3tzqB:
6.9		 3uboB-3tzqB:
23.68
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.
3u0b OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		4 SER A 343
ILE A 221
TYR A 356
GLY A 387
 None
 1.01A 3uboB-3u0bA:
6.1		 3uboB-3u0bA:
24.31
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.
3uf0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Beutenbergia
cavernae) 		PF13561
(adh_short_C2) 		4 SER A 143
ILE A  21
TYR A 156
GLY A 187
 NAP  A 274 (-3.5A)
NAP  A 274 (-3.7A)
NAP  A 274 (-4.7A)
None
 0.94A 3uboB-3uf0A:
6.8		 3uboB-3uf0A:
23.40
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.
3v2g 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 SER A 166
ILE A  43
TYR A 180
GLY A 211
 None
 1.05A 3uboB-3v2gA:
6.9		 3uboB-3v2gA:
24.20
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.
3vzq ACETOACETYL-COA
REDUCTASE

(Cupriavidus
necator) 		PF00106
(adh_short) 		4 SER A 140
ILE A  15
TYR A 153
GLY A 184
 None
 1.05A 3uboB-3vzqA:
6.9		 3uboB-3vzqA:
23.17
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.
3wbx PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		4 SER A 143
ILE A 153
GLY A 141
PRO A 161
 None
 1.05A 3uboB-3wbxA:
3.2		 3uboB-3wbxA:
23.20
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.
3wxb UNCHARACTERIZED
PROTEIN

(Gallus gallus) 		PF00106
(adh_short) 		4 SER A 159
ILE A  18
TYR A 178
GLY A 209
 EDO  A 301 ( 2.5A)
NDP  A 300 (-4.0A)
EDO  A 301 ( 4.3A)
None
 0.89A 3uboB-3wxbA:
5.6		 3uboB-3wxbA:
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.
4avy PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		4 SER A 133
ILE A  22
TYR A 146
GLY A 177
 None
 0.85A 3uboB-4avyA:
6.7		 3uboB-4avyA:
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.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		4 SER A 160
ILE A  39
TYR A 173
GLY A 204
 None
 1.00A 3uboB-4dqxA:
7.1		 3uboB-4dqxA:
19.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 SER A  58
ILE A 115
TYR A 156
GLY A 273
PRO A 312
 ADN  A 500 (-3.3A)
None
ADN  A 500 (-3.8A)
ADN  A 500 (-3.9A)
ADN  A 500 (-4.3A)
 0.40A 3uboB-4e3aA:
59.3		 3uboB-4e3aA:
71.88
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.
4f4w DNA POLYMERASE IV

(Sulfolobus
acidocaldarius;
Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		4 SER A 308
ILE A 285
GLY A 306
PRO A 282
 None
 1.00A 3uboB-4f4wA:
undetectable		 3uboB-4f4wA:
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.
4iin 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE (FABG)

(Helicobacter
pylori) 		PF13561
(adh_short_C2) 		4 SER A 142
ILE A  17
TYR A 155
GLY A 186
 NAD  A 301 (-3.4A)
NAD  A 301 (-3.6A)
NAD  A 301 (-4.7A)
None
 1.03A 3uboB-4iinA:
6.6		 3uboB-4iinA:
23.69
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.
4iiv 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		4 SER A 140
ILE A  14
TYR A 153
GLY A 184
 NAP  A1901 ( 3.7A)
NAP  A1901 (-4.0A)
NAP  A1901 (-4.6A)
NAP  A1901 (-4.9A)
 1.01A 3uboB-4iivA:
6.8		 3uboB-4iivA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imr 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		4 SER A 146
ILE A  23
TYR A 159
GLY A 190
 NAP  A 300 ( 3.8A)
NAP  A 300 (-4.0A)
NAP  A 300 (-4.4A)
NAP  A 300 (-4.9A)
 0.99A 3uboB-4imrA:
6.7		 3uboB-4imrA:
22.22
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.
4j2h SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 SER A 146
ILE A  22
TYR A 159
GLY A 190
 EDO  A 303 (-2.7A)
None
1PE  A 307 (-3.6A)
EDO  A 303 (-3.9A)
 0.96A 3uboB-4j2hA:
6.7		 3uboB-4j2hA:
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.
4jro FABG PROTEIN

(Listeria
monocytogenes) 		PF13561
(adh_short_C2) 		4 SER A 142
ILE A  17
TYR A 155
GLY A 186
 None
 0.98A 3uboB-4jroA:
7.0		 3uboB-4jroA:
21.04
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.
4lvu OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		4 SER A 165
ILE A  41
TYR A 178
GLY A 209
 None
 0.91A 3uboB-4lvuA:
6.7		 3uboB-4lvuA:
23.89
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.
4m02 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		4 SER A 619
ILE A 586
GLY A 617
PRO A 615
 None
 1.05A 3uboB-4m02A:
undetectable		 3uboB-4m02A:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis) 		no annotation 4 SER A 146
ILE A  58
GLY A 144
PRO A  51
 None
 1.03A 3uboB-4mfzA:
undetectable		 3uboB-4mfzA:
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.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		4 SER A 158
ILE A  31
TYR A 172
GLY A 203
 GOL  A 301 ( 3.8A)
None
GOL  A 301 ( 4.7A)
GOL  A 301 (-4.7A)
 0.99A 3uboB-4nbrA:
6.4		 3uboB-4nbrA:
21.04
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.
4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus sp.
SG-1) 		PF13561
(adh_short_C2) 		4 SER A 145
ILE A  25
TYR A 158
GLY A 189
 NAI  A 301 (-3.3A)
NAI  A 301 (-3.8A)
NAI  A 301 (-4.5A)
NAI  A 301 (-4.8A)
 0.93A 3uboB-4nbuA:
7.1		 3uboB-4nbuA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbv 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE PUTATIVE
SHORT-CHAIN
DEHYDROGENASES/REDUC
TASES (SDR) FAMILY
PROTEIN

(Cupriavidus
taiwanensis) 		PF13561
(adh_short_C2) 		4 SER A 141
ILE A  17
TYR A 154
GLY A 185
 None
 1.01A 3uboB-4nbvA:
6.8		 3uboB-4nbvA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Plesiocystis
pacifica) 		PF13561
(adh_short_C2) 		4 SER A 157
ILE A  24
TYR A 170
GLY A 201
 NAD  A 301 (-2.6A)
NAD  A 301 (-3.2A)
NAD  A 301 (-4.6A)
NAD  A 301 (-4.6A)
 0.94A 3uboB-4nbwA:
7.1		 3uboB-4nbwA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oso REDUCTASE HOMOLOG

(Streptomyces
cyanogenus) 		PF13561
(adh_short_C2) 		4 SER A 147
ILE A  18
TYR A 160
GLY A 191
 2V4  A 302 (-2.5A)
NAP  A 301 (-3.6A)
2V4  A 302 ( 4.4A)
2V4  A 302 ( 3.5A)
 0.96A 3uboB-4osoA:
6.8		 3uboB-4osoA:
24.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4osp OXYGENASE-REDUCTASE

(Streptomyces
fradiae) 		PF13561
(adh_short_C2) 		4 SER A 147
ILE A  18
TYR A 160
GLY A 191
 2V4  A 302 ( 3.0A)
NAP  A 301 (-3.9A)
NAP  A 301 ( 4.3A)
2V4  A 302 (-3.8A)
 0.98A 3uboB-4ospA:
6.9		 3uboB-4ospA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q22 GLYCOSIDE HYDROLASE
FAMILY 18

(Serratia
proteamaculans) 		PF00704
(Glyco_hydro_18) 		4 SER A  57
ILE A 148
TYR A  28
GLY A  59
 None
None
ACT  A 502 (-3.4A)
None
 0.96A 3uboB-4q22A:
2.2		 3uboB-4q22A:
19.82
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.
4r7y MINICHROMOSOME
MAINTENANCE PROTEIN
MCM, CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus;
Sulfolobus
solfataricus) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		4 SER A  50
ILE A  63
GLY A 102
PRO A 104
 None
 0.84A 3uboB-4r7yA:
undetectable		 3uboB-4r7yA:
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.
4rzh 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Synechocystis
sp. PCC 6803) 		PF13561
(adh_short_C2) 		4 SER A 143
ILE A  18
TYR A 156
GLY A 187
 None
 0.97A 3uboB-4rzhA:
7.7		 3uboB-4rzhA:
24.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rzi 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 4 SER B 134
ILE B  20
TYR B 147
GLY B 178
 None
 1.02A 3uboB-4rziB:
6.7		 3uboB-4rziB:
21.81
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.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		4 SER A 142
ILE A  21
TYR A 156
GLY A 187
 NAD  A 301 (-3.6A)
NAD  A 301 (-3.9A)
NAD  A 301 (-4.3A)
None
 1.00A 3uboB-4wecA:
6.4		 3uboB-4wecA:
22.04
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.
4wk4 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP) 		4 SER A 229
TYR A 261
GLY A 190
PRO A 183
 None
NAG  A 505 (-4.2A)
None
None
 1.05A 3uboB-4wk4A:
undetectable		 3uboB-4wk4A:
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.
4z9x GLUCONATE
5-DEHYDROGENASE

(Streptococcus
pyogenes) 		PF13561
(adh_short_C2) 		4 SER A 145
ILE A  21
TYR A 158
GLY A 189
 None
 0.96A 3uboB-4z9xA:
6.8		 3uboB-4z9xA:
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 ILE A1892
TYR A1650
GLY A1886
PRO A1888
 None
 1.03A 3uboB-5a22A:
3.4		 3uboB-5a22A:
10.34
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.
5cej 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Yersinia pestis) 		PF13561
(adh_short_C2) 		4 SER A 138
ILE A  17
TYR A 151
GLY A 182
 None
 1.04A 3uboB-5cejA:
6.8		 3uboB-5cejA:
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.
5jla PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		4 SER A 141
ILE A  21
TYR A 153
GLY A 184
 NAD  A 401 (-3.3A)
NAD  A 401 (-3.8A)
NAD  A 401 (-4.4A)
NAD  A 401 (-4.9A)
 1.05A 3uboB-5jlaA:
6.1		 3uboB-5jlaA:
25.27
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.
5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL

(Bos taurus) 		PF00346
(Complex1_49kDa) 		4 SER D 119
ILE D 128
GLY D 198
PRO D 130
 None
 1.05A 3uboB-5lc5D:
undetectable		 3uboB-5lc5D:
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.
5mdx PHOTOSYSTEM II
PROTEIN D1

(Arabidopsis
thaliana) 		PF00124
(Photo_RC) 		4 SER A 177
ILE A  83
GLY A 175
PRO A 173
 None
 0.94A 3uboB-5mdxA:
undetectable		 3uboB-5mdxA:
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.
5mln ALCOHOL
DEHYDROGENASE 3

([Candida]
magnoliae) 		no annotation 4 SER A 144
ILE A  16
TYR A 157
GLY A 188
 NAP  A 301 (-3.5A)
NAP  A 301 (-3.9A)
NAP  A 301 (-4.7A)
NAP  A 301 (-4.8A)
 1.05A 3uboB-5mlnA:
6.8		 3uboB-5mlnA:
12.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mq6 PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF07992
(Pyr_redox_2) 		4 ILE A 552
TYR A 640
GLY A 518
PRO A 531
 None
 0.80A 3uboB-5mq6A:
undetectable		 3uboB-5mq6A:
22.95
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 4 SER A 311
ILE A 425
GLY A 423
PRO A 440
 None
 0.97A 3uboB-5oc1A:
undetectable		 3uboB-5oc1A:
20.67
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.
5ovk 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 4 SER A 148
ILE A  35
TYR A 161
GLY A 192
 None
NDP  A 301 ( 4.5A)
None
None
 0.96A 3uboB-5ovkA:
6.3		 3uboB-5ovkA:
15.15
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.
5ovl 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 4 SER A 148
ILE A  35
TYR A 161
GLY A 192
 NAP  A1001 (-3.6A)
NAP  A1001 (-4.0A)
NAP  A1001 (-4.6A)
NAP  A1001 (-4.9A)
 1.01A 3uboB-5ovlA:
6.2		 3uboB-5ovlA:
14.89
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.
5t5q SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		4 SER A 140
ILE A  19
TYR A 153
GLY A 183
 NAD  A 300 ( 3.8A)
NAD  A 300 (-3.6A)
NAD  A 300 (-4.6A)
None
 0.95A 3uboB-5t5qA:
6.7		 3uboB-5t5qA:
23.39
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.
5tt0 OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		4 SER A 133
ILE A  16
TYR A 145
GLY A 176
 EDO  A 310 ( 4.0A)
None
EDO  A 310 (-4.2A)
EDO  A 309 ( 4.1A)
 1.01A 3uboB-5tt0A:
6.4		 3uboB-5tt0A:
23.51
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.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		4 SER A 141
ILE A  18
TYR A 155
GLY A 186
 IMD  A 304 (-3.4A)
NAP  A 301 (-4.0A)
IMD  A 304 ( 4.3A)
NAP  A 301 (-4.7A)
 1.01A 3uboB-5u2wA:
7.6		 3uboB-5u2wA:
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.
5u9p GLUCONATE
5-DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		4 SER A 148
ILE A  24
TYR A 161
GLY A 192
 TLA  A 302 (-2.9A)
NAP  A 301 (-3.9A)
TLA  A 302 ( 4.0A)
None
 0.90A 3uboB-5u9pA:
5.7		 3uboB-5u9pA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5unl 3-KETOACYL-ACP
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		4 SER A 148
ILE A  24
TYR A 161
GLY A 192
 NO3  A 306 ( 4.5A)
None
None
None
 1.04A 3uboB-5unlA:
5.7		 3uboB-5unlA:
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.
5vn2 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		4 SER A 147
ILE A 143
TYR A 158
GLY A 189
 ACT  A 302 (-3.3A)
NAD  A 301 (-4.7A)
ACT  A 302 ( 4.2A)
NAD  A 301 ( 4.8A)
 0.91A 3uboB-5vn2A:
6.5		 3uboB-5vn2A:
24.27
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.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 4 SER A 354
ILE A 230
TYR A 367
GLY A 394
 8H6  A 502 ( 3.2A)
NAP  A 501 (-3.9A)
NAP  A 501 ( 4.5A)
NAP  A 501 (-4.9A)
 0.92A 3uboB-5xwwA:
4.8		 3uboB-5xwwA:
11.01