SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2gdr'

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.
1YAJ_D_BEZD2385_0
(CES1 PROTEIN)		 2gdr GLUTATHIONE
S-TRANSFERASE
(Paraburkholderia
xenovorans) 		4 / 5 LEU A  98
SER A  13
LEU A 146
LEU A 151
 None
 1.17A 1yajD-2gdrA:
undetectable		 1yajD-2gdrA:
18.23
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.
4QWP_A_GCSA301_1
(CHITOSANASE)		 2gdr GLUTATHIONE
S-TRANSFERASE
(Paraburkholderia
xenovorans) 		3 / 3 TYR A 157
GLY A  66
PRO A  67
 None
GSH  A 224 (-3.9A)
None
 0.55A 4qwpA-2gdrA:
undetectable		 4qwpA-2gdrA:
22.48
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		 2gdr GLUTATHIONE
S-TRANSFERASE
(Paraburkholderia
xenovorans) 		5 / 10 GLY A 148
GLU A  90
ALA A 154
SER A 152
ALA A  83
 None
 1.10A 4wnuD-2gdrA:
undetectable		 4wnuD-2gdrA:
21.30
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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2gdr GLUTATHIONE
S-TRANSFERASE
(Paraburkholderia
xenovorans) 		5 / 12 TYR A 167
ILE A 201
PHE A 159
GLY A 163
GLY A 186
 None
 1.33A 5i71A-2gdrA:
1.9		 5i71A-2gdrA:
17.63
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.
5O4Y_D_CCSD14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2
PROGRAMMED CELL
DEATH 1 LIGAND 1)		 2gdr GLUTATHIONE
S-TRANSFERASE
(Paraburkholderia
xenovorans) 		5 / 12 PHE A 181
LEU A 172
SER A 177
GLY A 134
VAL A 136
 None
 1.24A 5o4yD-2gdrA:
undetectable
5o4yE-2gdrA:
undetectable		 5o4yD-2gdrA:
7.36
5o4yE-2gdrA:
21.74
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.
6AGG_Z_AG2Z503_0
(TRNA(ILE2)
2-AGMATINYLCYTIDINE
SYNTHETASE TIAS)		 2gdr GLUTATHIONE
S-TRANSFERASE
(Paraburkholderia
xenovorans) 		4 / 5 GLU A  65
ASN A  47
VAL A  52
CYH A  54
 GSH  A 224 (-3.1A)
None
GSH  A 224 (-4.1A)
None
 1.40A 6aggZ-2gdrA:
0.0		 6aggZ-2gdrA:
17.91