SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1ae1'

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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 1ae1 TROPINONE
REDUCTASE-I
(Datura
stramonium) 		4 / 6 SER A 148
PHE A  96
ASN A 101
ILE A 102
 None
 1.01A 1yc2A-1ae1A:
5.0		 1yc2A-1ae1A:
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.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 1ae1 TROPINONE
REDUCTASE-I
(Datura
stramonium) 		4 / 6 ARG A  53
ASP A 122
THR A 119
ASP A 117
 NAP  A 274 (-3.6A)
None
None
None
 1.28A 2okcB-1ae1A:
5.7		 2okcB-1ae1A:
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 1ae1 TROPINONE
REDUCTASE-I
(Datura
stramonium) 		5 / 8 PHE A 155
LEU A 145
LEU A 100
LEU A 137
ALA A 134
 None
 1.46A 2vcvF-1ae1A:
0.0		 2vcvF-1ae1A:
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)		 1ae1 TROPINONE
REDUCTASE-I
(Datura
stramonium) 		5 / 10 ILE A 256
PHE A 247
ALA A 246
ILE A 154
VAL A 199
 None
 1.00A 3me6A-1ae1A:
undetectable		 3me6A-1ae1A:
19.62
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.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 1ae1 TROPINONE
REDUCTASE-I
(Datura
stramonium) 		4 / 5 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.
5J2T_C_VLBC503_2
(TUBULIN ALPHA-1B
CHAIN)		 1ae1 TROPINONE
REDUCTASE-I
(Datura
stramonium) 		5 / 12 PRO A 238
VAL A 241
ILE A 245
ALA A 246
ILE A 204
 None
None
None
None
NAP  A 274 (-4.4A)
 0.82A 5j2tC-1ae1A:
7.3		 5j2tC-1ae1A:
21.80
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.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 1ae1 TROPINONE
REDUCTASE-I
(Datura
stramonium) 		5 / 9 ASN A 179
ILE A 126
SER A 157
SER A 172
SER A 169
 None
 1.31A 6awpA-1ae1A:
0.0		 6awpA-1ae1A:
21.05
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.
6R2E_D_FFOD403_0
(THYMIDYLATE SYNTHASE)		 1ae1 TROPINONE
REDUCTASE-I
(Datura
stramonium) 		5 / 10 PHE A  96
LEU A 248
LEU A 145
GLY A 151
ASN A 150
 None
 1.25A 6r2eD-1ae1A:
0.0		 6r2eD-1ae1A:
21.31
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.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		 1ae1 TROPINONE
REDUCTASE-I
(Datura
stramonium) 		5 / 11 PHE A  96
LEU A 248
LEU A 145
GLY A 151
ASN A 150
 None
 1.27A 6r2eF-1ae1A:
0.0		 6r2eF-1ae1A:
21.31
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.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		 1ae1 TROPINONE
REDUCTASE-I
(Datura
stramonium) 		5 / 11 PHE A 226
ILE A 159
TRP A 262
GLY A 266
PHE A 267
 None
 1.36A 6r2eG-1ae1A:
0.0		 6r2eG-1ae1A:
21.31