SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'A2R'


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.
2Y4N_B_PACB503_0
(PHENYLACETATE-COENZY
ME A LIGASE)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		4 / 4 SER A 176
GLY A   7
GLY A  13
LYS A  14
 A2R  A 401 ( 4.7A)
A2R  A 401 ( 4.1A)
None
None
 1.36A 2y4nB-2pk3A:
3.8		 2y4nB-2pk3A:
22.07
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.
2ZBZ_A_VDXA501_1
(CYTOCHROME P450-SU1)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 11 THR A  88
VAL A 147
LEU A  97
VAL A  96
ILE A 109
 A2R  A 401 ( 4.1A)
None
None
None
None
 0.73A 2zbzA-2pk3A:
undetectable		 2zbzA-2pk3A:
22.50
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 12 LEU A  97
THR A 165
THR A 167
HIS A 170
ILE A 217
 None
None
None
A2R  A 401 ( 3.9A)
None
 1.28A 3sp9A-2pk3A:
undetectable		 3sp9A-2pk3A:
26.63
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.
3SP9_B_IL2B901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 12 LEU A  97
THR A 165
THR A 167
HIS A 170
ILE A 217
 None
None
None
A2R  A 401 ( 3.9A)
None
 1.27A 3sp9B-2pk3A:
undetectable		 3sp9B-2pk3A:
26.63
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.
3ZOS_A_0LIA1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		5 / 9 ILE A 112
LEU A 110
ILE A 163
ILE A 162
TYR A 158
 A2R  A 401 (-4.2A)
None
None
None
None
 1.09A 3zosA-2pk3A:
undetectable		 3zosA-2pk3A:
23.58
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.
5A06_B_SORB1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2pk3 GDP-6-DEOXY-D-LYXO-4
-HEXULOSE REDUCTASE
(Aneurinibacillus
thermoaerophilus) 		4 / 7 ILE A   5
LEU A  69
GLY A  10
GLY A  13
 None
A2R  A 401 (-4.2A)
A2R  A 401 (-3.3A)
None
 0.87A 5a06B-2pk3A:
5.0		 5a06B-2pk3A:
20.33