SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1wnb'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1ICT_D_T44D129_1
(TRANSTHYRETIN)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 6 LEU A 171
ALA A 146
SER A 221
THR A 223
 None
None
None
NAI  A1001 (-4.5A)
 0.99A 1ictB-1wnbA:
undetectable		 1ictB-1wnbA:
14.34
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.
2J2P_C_SC2C1289_1
(FICOLIN-2)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 6 SER A 402
SER A 450
LEU A 406
GLY A 405
 None
 0.96A 2j2pA-1wnbA:
undetectable
2j2pC-1wnbA:
undetectable		 2j2pA-1wnbA:
18.29
2j2pC-1wnbA:
18.29
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.
2J2P_F_SC2F1289_1
(FICOLIN-2)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 6 SER A 402
SER A 450
LEU A 406
GLY A 405
 None
 0.95A 2j2pD-1wnbA:
undetectable
2j2pF-1wnbA:
undetectable		 2j2pD-1wnbA:
18.29
2j2pF-1wnbA:
18.29
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.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 LEU A 328
GLY A 350
GLY A 349
THR A 363
LEU A 322
 None
 1.14A 2uvnA-1wnbA:
undetectable		 2uvnA-1wnbA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AOC_C_ERYC3402_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		3 / 3 THR A 228
SER A 174
LYS A 172
 NAI  A1001 (-2.9A)
NAI  A1001 (-4.4A)
NAI  A1001 (-2.8A)
 1.21A 3aocC-1wnbA:
undetectable		 3aocC-1wnbA:
19.91
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.35A 3bexC-1wnbA:
undetectable
3bexD-1wnbA:
undetectable		 3bexC-1wnbA:
21.47
3bexD-1wnbA:
21.47
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.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 10 LEU A 222
THR A 228
GLY A 204
THR A 212
ILE A 232
 None
NAI  A1001 (-2.9A)
NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
 1.35A 3bexC-1wnbA:
undetectable
3bexD-1wnbA:
undetectable		 3bexC-1wnbA:
21.47
3bexD-1wnbA:
21.47
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.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 10 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.34A 3bexE-1wnbA:
undetectable
3bexF-1wnbA:
undetectable		 3bexE-1wnbA:
21.47
3bexF-1wnbA:
21.47
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.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 LEU A 222
THR A 228
GLY A 204
THR A 212
ILE A 232
 None
NAI  A1001 (-2.9A)
NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
 1.34A 3bexE-1wnbA:
undetectable
3bexF-1wnbA:
undetectable		 3bexE-1wnbA:
21.47
3bexF-1wnbA:
21.47
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.33A 3bf1A-1wnbA:
undetectable
3bf1B-1wnbA:
undetectable		 3bf1A-1wnbA:
21.47
3bf1B-1wnbA:
21.47
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.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.35A 3bf1C-1wnbA:
undetectable
3bf1D-1wnbA:
undetectable		 3bf1C-1wnbA:
21.47
3bf1D-1wnbA:
21.47
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.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 LEU A 222
THR A 228
GLY A 204
THR A 212
ILE A 232
 None
NAI  A1001 (-2.9A)
NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
 1.33A 3bf1C-1wnbA:
undetectable
3bf1D-1wnbA:
undetectable		 3bf1C-1wnbA:
21.47
3bf1D-1wnbA:
21.47
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.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.33A 3bf1E-1wnbA:
undetectable
3bf1F-1wnbA:
undetectable		 3bf1E-1wnbA:
21.47
3bf1F-1wnbA:
21.47
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.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 11 LEU A 222
THR A 228
GLY A 204
THR A 212
ILE A 232
 None
NAI  A1001 (-2.9A)
NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
 1.36A 3bf1E-1wnbA:
undetectable
3bf1F-1wnbA:
undetectable		 3bf1E-1wnbA:
21.47
3bf1F-1wnbA:
21.47
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		3 / 3 LEU A 247
GLU A 230
ILE A 233
 None
 0.57A 3czhA-1wnbA:
undetectable		 3czhA-1wnbA:
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.
3DDS_A_CFFA904_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 6 ASN A 275
HIS A 327
ALA A 276
GLY A 320
 None
NAI  A1001 (-4.5A)
None
None
 1.16A 3ddsA-1wnbA:
undetectable		 3ddsA-1wnbA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 7 HIS A 244
LEU A 118
PHE A 111
VAL A 107
 None
 1.15A 3jwqC-1wnbA:
undetectable		 3jwqC-1wnbA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LK0_D_Z80D92_1
(PROTEIN S100-B)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		3 / 3 HIS A 444
PHE A 110
PHE A 111
 None
 0.77A 3lk0D-1wnbA:
undetectable		 3lk0D-1wnbA:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RGF_A_BAXA465_2
(CYCLIN-DEPENDENT
KINASE 8)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 7 LEU A 296
VAL A 255
VAL A 265
ASP A 260
 None
 0.94A 3rgfA-1wnbA:
undetectable		 3rgfA-1wnbA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U52_A_CUA515_0
(PHENOL HYDROXYLASE
COMPONENT PHL
PHENOL HYDROXYLASE
COMPONENT PHN)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		3 / 3 HIS A 235
HIS A 231
ILE A 232
 None
NAI  A1001 (-3.9A)
None
 0.85A 3u52A-1wnbA:
undetectable
3u52C-1wnbA:
undetectable		 3u52A-1wnbA:
20.54
3u52C-1wnbA:
19.65
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.
4C5N_C_PXLC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 8 ASP A 209
GLY A 208
VAL A 220
HIS A 231
 NAI  A1001 (-3.2A)
NAI  A1001 (-3.4A)
None
NAI  A1001 (-3.9A)
 0.83A 4c5nC-1wnbA:
2.8		 4c5nC-1wnbA:
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.
4D7B_B_TCWB1126_1
(TRANSTHYRETIN)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 7 LEU A 171
ALA A 146
SER A 221
THR A 223
 None
None
None
NAI  A1001 (-4.5A)
 0.90A 4d7bA-1wnbA:
undetectable		 4d7bA-1wnbA:
14.34
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.
4JSE_A_H4BA804_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 7 MET A 153
VAL A 107
TRP A 157
GLU A 100
 None
 1.42A 4jseA-1wnbA:
0.0
4jseB-1wnbA:
undetectable		 4jseA-1wnbA:
22.01
4jseB-1wnbA:
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.
4JSE_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 7 GLU A 100
MET A 153
VAL A 107
TRP A 157
 None
 1.42A 4jseA-1wnbA:
0.0
4jseB-1wnbA:
0.0		 4jseA-1wnbA:
22.01
4jseB-1wnbA:
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.
4LBG_A_ADNA402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 10 SER A  37
VAL A  12
ALA A  43
ALA A  44
ILE A   7
 None
 1.07A 4lbgA-1wnbA:
3.3		 4lbgA-1wnbA:
23.35
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.
4LTW_A_486A302_1
(ANCESTRAL STEROID
RECEPTOR 2)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 LEU A 159
ILE A  74
GLU A 100
ILE A 101
ALA A 103
 None
 1.03A 4ltwA-1wnbA:
undetectable		 4ltwA-1wnbA:
18.60
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.28A 4o5fA-1wnbA:
undetectable
4o5fB-1wnbA:
undetectable		 4o5fA-1wnbA:
24.72
4o5fB-1wnbA:
24.72
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.
4OLT_B_GCSB301_1
(CHITOSANASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		3 / 3 GLY A 320
PRO A 321
GLN A 278
 None
 0.42A 4oltB-1wnbA:
0.0		 4oltB-1wnbA:
22.30
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.
4QWP_B_GCSB305_1
(CHITOSANASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		3 / 3 GLY A 320
PRO A 321
GLN A 278
 None
 0.32A 4qwpB-1wnbA:
0.0		 4qwpB-1wnbA:
22.30
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.
4ZJZ_A_BEZA1001_0
(BENZOATE-COENZYME A
LIGASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 8 ALA A  47
GLY A 195
ALA A 194
GLY A   9
 None
 0.67A 4zjzA-1wnbA:
1.5		 4zjzA-1wnbA:
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.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 GLY A 204
THR A 212
ILE A 232
LEU A 222
THR A 228
 NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
None
NAI  A1001 (-2.9A)
 1.28A 5b8hA-1wnbA:
undetectable
5b8hB-1wnbA:
undetectable		 5b8hA-1wnbA:
22.31
5b8hB-1wnbA:
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.
5B8H_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 LEU A 222
THR A 228
GLY A 204
THR A 212
ILE A 232
 None
NAI  A1001 (-2.9A)
NAI  A1001 (-3.4A)
NAI  A1001 ( 4.3A)
None
 1.26A 5b8hA-1wnbA:
undetectable
5b8hB-1wnbA:
undetectable		 5b8hA-1wnbA:
22.31
5b8hB-1wnbA:
22.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		7 / 12 ASN A 149
MET A 154
TRP A 157
GLU A 246
CYH A 280
THR A 281
LEU A 438
 NAI  A1001 ( 3.9A)
None
None
NAI  A1001 (-3.4A)
NAI  A1001 (-2.5A)
None
None
 0.74A 5fhzD-1wnbA:
54.3		 5fhzD-1wnbA:
36.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWK_A_BEZA301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 10 GLY A 428
TYR A 427
GLY A 405
SER A 450
LEU A 406
 None
 1.29A 5hwkA-1wnbA:
undetectable		 5hwkA-1wnbA:
18.89
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.
5HWK_B_BEZB301_0
(GLUTATHIONE-SPECIFIC
GAMMA-GLUTAMYLCYCLOT
RANSFERASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 10 GLY A 428
TYR A 427
GLY A 405
SER A 450
LEU A 406
 None
 1.30A 5hwkB-1wnbA:
undetectable		 5hwkB-1wnbA:
18.89
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.
5U4S_A_BEZA301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 7 ILE A 226
LEU A 247
MET A 245
LEU A 222
 None
 1.01A 5u4sA-1wnbA:
3.7		 5u4sA-1wnbA:
21.07
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.
5VLM_C_CVIC301_0
(REGULATORY PROTEIN
TETR)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 12 ALA A 160
LEU A 461
ARG A 242
VAL A 142
ASP A 137
 None
 1.42A 5vlmC-1wnbA:
0.0		 5vlmC-1wnbA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		6 / 12 ALA A 164
PRO A 138
GLY A  56
ALA A 114
PRO A 161
PHE A 111
 None
 1.33A 5zvgA-1wnbA:
undetectable		 5zvgA-1wnbA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZVG_B_SAMB401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		6 / 12 ALA A 164
PRO A 138
GLY A  56
ALA A 114
PRO A 161
PHE A 111
 None
 1.34A 5zvgB-1wnbA:
undetectable		 5zvgB-1wnbA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 6 TYR A 287
ASP A 401
GLN A 426
THR A 387
 None
 1.36A 6djzA-1wnbA:
undetectable		 6djzA-1wnbA:
18.97
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.
6HU9_H_PCFH604_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		4 / 8 GLY A 349
GLY A 332
ALA A 338
LYS A 339
 None
 0.59A 6hu9H-1wnbA:
undetectable
6hu9e-1wnbA:
undetectable		 6hu9H-1wnbA:
10.14
6hu9e-1wnbA:
13.77
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.
6R2E_C_FFOC404_0
(THYMIDYLATE SYNTHASE)		 1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE
(Escherichia
coli) 		5 / 10 PHE A 108
ASN A 167
LEU A 139
LEU A 461
GLY A 460
 None
 1.30A 6r2eC-1wnbA:
0.0		 6r2eC-1wnbA:
20.04