SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2CP'


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.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		 1ef9 METHYLMALONYL COA
DECARBOXYLASE
(Escherichia
coli) 		6 / 12 GLY A 109
GLY A 110
LEU A  28
LEU A  85
ILE A 115
PHE A  62
 2CP  A 270 ( 3.8A)
2CP  A 270 (-3.4A)
None
None
None
None
 1.30A 1mx1D-1ef9A:
undetectable		 1mx1D-1ef9A:
18.76
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		 1ef9 METHYLMALONYL COA
DECARBOXYLASE
(Escherichia
coli) 		6 / 12 GLY A 109
GLY A 110
LEU A  28
SER A  29
LEU A  85
LEU A  71
 2CP  A 270 ( 3.8A)
2CP  A 270 (-3.4A)
None
None
None
None
 1.35A 1ya4A-1ef9A:
undetectable		 1ya4A-1ef9A:
18.66
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		 1ef9 METHYLMALONYL COA
DECARBOXYLASE
(Escherichia
coli) 		5 / 12 GLY A 109
GLY A 110
LEU A  28
SER A  29
LEU A  85
 2CP  A 270 ( 3.8A)
2CP  A 270 (-3.4A)
None
None
None
 1.10A 1ya4B-1ef9A:
undetectable		 1ya4B-1ef9A:
18.66
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		 1ef9 METHYLMALONYL COA
DECARBOXYLASE
(Escherichia
coli) 		5 / 12 GLY A 110
LEU A  28
SER A  29
LEU A  85
LEU A  71
 2CP  A 270 (-3.4A)
None
None
None
None
 1.17A 1ya4B-1ef9A:
undetectable		 1ya4B-1ef9A:
18.66
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.
1YA4_C_CTXC3_1
(CES1 PROTEIN)		 1ef9 METHYLMALONYL COA
DECARBOXYLASE
(Escherichia
coli) 		6 / 12 GLY A 109
GLY A 110
LEU A  28
SER A  29
LEU A  85
LEU A  71
 2CP  A 270 ( 3.8A)
2CP  A 270 (-3.4A)
None
None
None
None
 1.44A 1ya4C-1ef9A:
undetectable		 1ya4C-1ef9A:
18.66
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.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 1ef9 METHYLMALONYL COA
DECARBOXYLASE
(Escherichia
coli) 		5 / 11 PHE A  32
ILE A  88
GLY A 110
ALA A 111
VAL A 103
 None
None
2CP  A 270 (-3.4A)
None
None
 1.21A 3rukD-1ef9A:
undetectable		 3rukD-1ef9A:
18.15