SIMILAR PATTERNS OF AMINO ACIDS FOR 3UBO_B_ADNB353_2

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.
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