SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ein'

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.
1MSK_A_SAMA1301_0
(COBALAMIN-DEPENDENT
METHIONINE SYNTHASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 10 ASP A 101
ARG A  67
TYR A 114
PRO A 115
TYR A 113
 None
GSH  A 210 (-3.6A)
None
None
None
 1.42A 1mskA-3einA:
undetectable		 1mskA-3einA:
23.15
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.
2JN3_A_JN3A130_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		4 / 7 PHE A 135
LEU A 138
LEU A 142
GLU A 168
 None
 0.97A 2jn3A-3einA:
undetectable		 2jn3A-3einA:
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		4 / 5 LEU A  31
ILE A  53
SER A  10
GLY A   9
 None
GSH  A 210 (-4.3A)
GSH  A 210 (-3.1A)
None
 0.94A 2otfA-3einA:
undetectable		 2otfA-3einA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWX_A_EPAA1_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 10 ILE A 158
LEU A  27
VAL A  25
VAL A   2
LEU A  56
 None
 0.96A 3gwxA-3einA:
undetectable		 3gwxA-3einA:
23.83
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.
3GWX_B_EPAB3_2
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		6 / 12 ILE A 158
LEU A  27
VAL A  25
VAL A   2
LEU A  56
ILE A  69
 None
 1.24A 3gwxB-3einA:
undetectable		 3gwxB-3einA:
23.83
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.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 11 ASP A  58
LEU A  27
PHE A   4
LEU A  73
ILE A  69
 None
 1.39A 3o94A-3einA:
undetectable		 3o94A-3einA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 11 ASP A  58
LEU A  27
PHE A   4
LEU A  73
ILE A  69
 None
 1.42A 3o94B-3einA:
undetectable		 3o94B-3einA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 11 ASP A  58
LEU A  27
PHE A   4
LEU A  73
ILE A  69
 None
 1.40A 3o94C-3einA:
undetectable		 3o94C-3einA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 11 ASP A  58
LEU A  27
PHE A   4
LEU A  73
ILE A  69
 None
 1.39A 3o94D-3einA:
undetectable		 3o94D-3einA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROD_A_NCAA302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 8 LEU A  98
ASP A 101
ALA A 159
SER A  15
SER A  66
 None
None
None
None
GSH  A 210 (-2.6A)
 1.38A 3rodA-3einA:
undetectable		 3rodA-3einA:
22.34
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.
3ROD_B_NCAB302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 9 LEU A  98
ASP A 101
ALA A 159
SER A  15
SER A  66
 None
None
None
None
GSH  A 210 (-2.6A)
 1.44A 3rodB-3einA:
0.0		 3rodB-3einA:
22.34
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.
3TTR_A_LQZA90_1
(LACTOTRANSFERRIN)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		3 / 3 PRO A  54
THR A  55
LEU A  32
 GSH  A 210 (-4.3A)
None
None
 0.70A 3ttrA-3einA:
undetectable		 3ttrA-3einA:
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.
3V4T_A_ACTA502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		4 / 5 VAL A 169
SER A 165
GLY A 200
ARG A  14
 None
 1.31A 3v4tA-3einA:
undetectable
3v4tD-3einA:
undetectable		 3v4tA-3einA:
19.34
3v4tD-3einA:
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.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		4 / 6 PHE A 137
SER A 165
VAL A 164
ASP A 101
 None
 1.29A 5hesA-3einA:
undetectable		 5hesA-3einA:
23.27
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.
6BM5_A_SAMA1301_0
(METHIONINE SYNTHASE)		 3ein GLUTATHIONE
S-TRANSFERASE 1-1
(Drosophila
melanogaster) 		5 / 11 ASP A 101
ARG A  67
TYR A 114
PRO A 115
TYR A 113
 None
GSH  A 210 (-3.6A)
None
None
None
 1.42A 6bm5A-3einA:
undetectable		 6bm5A-3einA:
23.01