SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4up3'

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.
2CL5_A_SAMA1217_0
(CATECHOL
O-METHYLTRANSFERASE)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		5 / 12 MET A 156
VAL A 178
GLY A 159
TYR A 244
HIS A 182
 None
None
NDP  A1316 ( 4.0A)
None
NDP  A1316 (-4.5A)
 1.40A 2cl5A-4up3A:
3.8		 2cl5A-4up3A:
21.17
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.
2VH3_A_DAHA2_1
(RANASMURFIN)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		5 / 9 ALA A  20
ALA A 304
GLY A 298
ALA A  15
CYH A 282
 None
None
None
FAD  A1315 (-3.3A)
None
 1.28A 2vh3A-4up3A:
undetectable		 2vh3A-4up3A:
16.67
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.
2YVL_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		5 / 12 ILE A 115
ILE A 114
GLY A 283
ALA A 281
ALA A 293
 None
None
FAD  A1315 (-3.3A)
None
FAD  A1315 (-3.5A)
 0.91A 2yvlA-4up3A:
4.7		 2yvlA-4up3A:
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.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		5 / 12 ILE A 115
ILE A 114
GLY A 283
ALA A 281
ALA A 293
 None
None
FAD  A1315 (-3.3A)
None
FAD  A1315 (-3.5A)
 0.92A 2yvlB-4up3A:
4.7		 2yvlB-4up3A:
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.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		5 / 12 ILE A 115
ILE A 114
GLY A 283
ALA A 281
ALA A 293
 None
None
FAD  A1315 (-3.3A)
None
FAD  A1315 (-3.5A)
 0.93A 2yvlC-4up3A:
4.5		 2yvlC-4up3A:
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.
3HGX_A_SALA102_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 7 ARG A 288
TYR A 266
ILE A 267
GLN A 286
 None
 1.03A 3hgxA-4up3A:
undetectable		 3hgxA-4up3A:
15.49
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.
3REM_B_SALB301_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 8 ARG A 288
TYR A 266
ILE A 267
GLN A 286
 None
 1.05A 3remB-4up3A:
undetectable		 3remB-4up3A:
16.16
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.
4DT8_B_ADNB401_1
(APH(2'')-ID)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		5 / 10 SER A 299
GLY A 300
ALA A  15
ILE A 267
ILE A 115
 None
None
FAD  A1315 (-3.3A)
None
None
 0.97A 4dt8B-4up3A:
undetectable		 4dt8B-4up3A:
17.95
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.
4M11_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		5 / 12 MET A 124
VAL A 126
VAL A 236
ALA A 224
LEU A 242
 NDP  A1316 ( 3.9A)
None
None
None
None
 1.49A 4m11D-4up3A:
undetectable		 4m11D-4up3A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP1_A_LDPA708_1
(DOPAMINE
TRANSPORTER, ISOFORM
B)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		5 / 10 PHE A 243
ASP A 144
ALA A 240
SER A 138
GLY A 241
 None
 1.34A 4xp1A-4up3A:
undetectable		 4xp1A-4up3A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BS8_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 7 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.83A 5bs8A-4up3A:
undetectable
5bs8C-4up3A:
undetectable
5bs8D-4up3A:
undetectable		 5bs8A-4up3A:
21.63
5bs8C-4up3A:
21.63
5bs8D-4up3A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BS8_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 7 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.84A 5bs8A-4up3A:
undetectable
5bs8B-4up3A:
undetectable
5bs8C-4up3A:
undetectable		 5bs8A-4up3A:
21.63
5bs8B-4up3A:
20.37
5bs8C-4up3A:
21.63
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.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 7 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.80A 5btaA-4up3A:
undetectable
5btaC-4up3A:
undetectable
5btaD-4up3A:
undetectable		 5btaA-4up3A:
21.63
5btaC-4up3A:
21.63
5btaD-4up3A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 6 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.83A 5btaA-4up3A:
undetectable
5btaB-4up3A:
undetectable
5btaC-4up3A:
undetectable		 5btaA-4up3A:
21.63
5btaB-4up3A:
20.37
5btaC-4up3A:
21.63
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 6 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.82A 5btcA-4up3A:
undetectable
5btcC-4up3A:
undetectable
5btcD-4up3A:
undetectable		 5btcA-4up3A:
21.63
5btcC-4up3A:
21.63
5btcD-4up3A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 6 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.84A 5btcA-4up3A:
undetectable
5btcB-4up3A:
undetectable
5btcC-4up3A:
undetectable		 5btcA-4up3A:
21.63
5btcB-4up3A:
20.37
5btcC-4up3A:
21.63
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 7 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.82A 5btdA-4up3A:
undetectable
5btdB-4up3A:
undetectable
5btdC-4up3A:
undetectable		 5btdA-4up3A:
21.63
5btdB-4up3A:
20.37
5btdC-4up3A:
21.63
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 7 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.81A 5btdA-4up3A:
undetectable
5btdC-4up3A:
undetectable
5btdD-4up3A:
undetectable		 5btdA-4up3A:
21.63
5btdC-4up3A:
21.63
5btdD-4up3A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 7 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.83A 5btfA-4up3A:
undetectable
5btfB-4up3A:
undetectable
5btfC-4up3A:
undetectable		 5btfA-4up3A:
21.63
5btfB-4up3A:
20.37
5btfC-4up3A:
21.63
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 7 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.83A 5btfA-4up3A:
undetectable
5btfC-4up3A:
undetectable
5btfD-4up3A:
undetectable		 5btfA-4up3A:
21.63
5btfC-4up3A:
21.63
5btfD-4up3A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTG_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		4 / 6 ARG A  73
GLY A  44
THR A  85
GLU A  34
 None
 0.90A 5btgA-4up3A:
undetectable
5btgB-4up3A:
undetectable
5btgC-4up3A:
undetectable		 5btgA-4up3A:
21.63
5btgB-4up3A:
20.37
5btgC-4up3A:
21.63
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.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 4up3 THIOREDOXIN
REDUCTASE
(Entamoeba
histolytica) 		5 / 12 GLY A  39
GLY A  35
ALA A 121
ARG A 123
GLU A 167
 None
FAD  A1315 (-3.4A)
None
None
None
 0.96A 5c0oG-4up3A:
undetectable		 5c0oG-4up3A:
22.36