SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4doi'

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.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 12 LEU A  65
LYS A 102
THR A 212
ILE A 203
LEU A 199
 None
 0.97A 1rd7B-4doiA:
undetectable		 1rd7B-4doiA:
21.91
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.
2LH6_A_NIOA155_1
(LEGHEMOGLOBIN A
(NICOTINATE MET))		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		4 / 5 PHE A 146
PHE A 150
PHE A 155
VAL A 121
 None
 1.24A 2lh6A-4doiA:
undetectable		 2lh6A-4doiA:
23.29
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.
2NYR_B_SVRB401_3
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 12 ILE A 181
PHE A  26
GLY A  43
LEU A 165
VAL A 106
 None
None
None
None
NO3  A 301 (-4.8A)
 1.37A 2nyrB-4doiA:
undetectable		 2nyrB-4doiA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4S_A_AB1A400_1
(PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 12 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.82A 2o4sA-4doiA:
undetectable		 2o4sA-4doiA:
20.35
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		4 / 6 PHE A  91
PHE A  92
GLY A  42
GLY A  43
 None
 0.61A 2qr2A-4doiA:
undetectable
2qr2B-4doiA:
undetectable		 2qr2A-4doiA:
25.55
2qr2B-4doiA:
25.55
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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		4 / 5 GLY A  42
GLY A  43
PHE A  91
PHE A  92
 None
 0.59A 2qr2A-4doiA:
undetectable
2qr2B-4doiA:
undetectable		 2qr2A-4doiA:
25.55
2qr2B-4doiA:
25.55
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.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		4 / 8 PHE A  91
PHE A  92
GLY A  42
GLY A  43
 None
 0.62A 2qx4A-4doiA:
undetectable
2qx4B-4doiA:
undetectable		 2qx4A-4doiA:
25.55
2qx4B-4doiA:
25.55
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		4 / 6 PHE A  91
PHE A  92
GLY A  42
GLY A  43
 None
 0.62A 2qx6A-4doiA:
undetectable
2qx6B-4doiA:
undetectable		 2qx6A-4doiA:
25.55
2qx6B-4doiA:
25.55
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.
3D1Z_B_017B201_1
(HIV-1 PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 12 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.90A 3d1zA-4doiA:
undetectable		 3d1zA-4doiA:
19.31
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.
3EM0_A_CHDA153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		4 / 5 ILE A  61
PHE A 175
PHE A 155
TYR A 117
 None
None
None
NO3  A 301 ( 4.6A)
 1.10A 3em0A-4doiA:
undetectable		 3em0A-4doiA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZV_A_017A200_2
(HIV-1 PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 11 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 1.00A 3lzvB-4doiA:
undetectable		 3lzvB-4doiA:
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.
3NU6_B_478B401_1
(PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 10 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.88A 3nu6A-4doiA:
undetectable		 3nu6A-4doiA:
19.31
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.
3NUJ_B_478B401_1
(PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 10 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 1.01A 3nujA-4doiA:
undetectable		 3nujA-4doiA:
19.31
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.
3OXV_B_478B200_2
(HIV-1 PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 10 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.98A 3oxvB-4doiA:
undetectable		 3oxvB-4doiA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 11 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.92A 3oxvD-4doiA:
undetectable		 3oxvD-4doiA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 12 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.94A 4dqbA-4doiA:
undetectable		 4dqbA-4doiA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JLC_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		4 / 5 GLY A 185
THR A 184
GLY A 207
LEU A 165
 None
 0.79A 5jlcA-4doiA:
undetectable		 5jlcA-4doiA:
19.34
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.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 12 GLY A 211
GLY A  43
GLY A  45
PHE A 100
ILE A  95
 None
 0.93A 5vimA-4doiA:
undetectable		 5vimA-4doiA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_B_SAMB301_0
(METHYLTRANSFERASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 12 GLY A 211
GLY A  43
GLY A  45
PHE A 100
ILE A  95
 None
 0.93A 5vimB-4doiA:
undetectable		 5vimB-4doiA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA504_1
(CYTOCHROME P450 2C9)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		4 / 8 ILE A  95
PHE A 100
ASN A  68
PHE A  40
 None
 1.13A 5x23A-4doiA:
undetectable		 5x23A-4doiA:
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		4 / 6 LEU A  65
VAL A  63
LEU A 199
ARG A 213
 None
 0.96A 5x7zA-4doiA:
undetectable		 5x7zA-4doiA:
22.27
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.
6DJ2_B_AB1B201_0
(HIV-1 PROTEASE)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		5 / 10 VAL A  63
ILE A 203
GLY A 207
VAL A 106
ILE A 104
 None
None
None
NO3  A 301 (-4.8A)
None
 0.86A 6dj2A-4doiA:
undetectable		 6dj2A-4doiA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		 4doi CHALCONE--FLAVONONE
ISOMERASE 1
(Arabidopsis
thaliana) 		4 / 6 THR A  81
LEU A  85
MET A 225
LEU A 214
 None
 1.22A 6mvxA-4doiA:
undetectable
6mvxB-4doiA:
undetectable
6mvxC-4doiA:
undetectable		 6mvxA-4doiA:
21.93
6mvxB-4doiA:
21.93
6mvxC-4doiA:
21.93