SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4kdr'

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.
1EKJ_A_ACTA3001_0
(BETA-CARBONIC
ANHYDRASE)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		4 / 8 ASP A  62
GLY A  68
GLY A  67
TYR A 107
 SAH  A 301 ( 4.5A)
None
None
None
 0.89A 1ekjA-4kdrA:
2.6
1ekjB-4kdrA:
2.6		 1ekjA-4kdrA:
19.28
1ekjB-4kdrA:
19.28
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.
1EKJ_E_ACTE3005_0
(BETA-CARBONIC
ANHYDRASE)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		4 / 7 ASP A  62
GLY A  68
GLY A  67
TYR A 107
 SAH  A 301 ( 4.5A)
None
None
None
 0.88A 1ekjE-4kdrA:
2.4
1ekjF-4kdrA:
2.4		 1ekjE-4kdrA:
19.28
1ekjF-4kdrA:
19.28
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.
1EKJ_F_ACTF3008_0
(BETA-CARBONIC
ANHYDRASE)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		4 / 8 TYR A 107
ASP A  62
GLY A  68
GLY A  67
 None
SAH  A 301 ( 4.5A)
None
None
 0.89A 1ekjE-4kdrA:
undetectable
1ekjF-4kdrA:
undetectable		 1ekjE-4kdrA:
19.28
1ekjF-4kdrA:
19.28
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.
1EKJ_G_ACTG3002_0
(BETA-CARBONIC
ANHYDRASE)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		4 / 8 ASP A  62
GLY A  68
GLY A  67
TYR A 107
 SAH  A 301 ( 4.5A)
None
None
None
 0.89A 1ekjG-4kdrA:
2.4
1ekjH-4kdrA:
2.5		 1ekjG-4kdrA:
19.28
1ekjH-4kdrA:
19.28
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.
1GMK_C_DVAC6_0
(GRAMICIDIN A)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		3 / 3 ALA A  98
VAL A  93
TRP A  27
 None
 0.94A 1gmkC-4kdrA:
undetectable
1gmkD-4kdrA:
undetectable		 1gmkC-4kdrA:
9.48
1gmkD-4kdrA:
9.48
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.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		5 / 12 GLY A  64
GLY A  66
LEU A  70
MET A 131
VAL A 141
 SAH  A 301 (-3.7A)
SAH  A 301 (-3.2A)
None
None
None
 0.52A 1i9gA-4kdrA:
16.1		 1i9gA-4kdrA:
23.94
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.
2GLU_A_SAMA301_0
(YCGJ)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		5 / 12 GLY A  64
GLY A  66
ASP A  85
THR A 111
GLU A 113
 SAH  A 301 (-3.7A)
SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
None
None
 0.88A 2gluA-4kdrA:
20.0		 2gluA-4kdrA:
22.02
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.
2HDN_F_TACF3888_1
(ELONGATION FACTOR
EF-TU)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		4 / 7 THR A 127
ASP A  62
SER A  73
LEU A 225
 None
SAH  A 301 ( 4.5A)
None
None
 0.91A 2hdnE-4kdrA:
undetectable
2hdnF-4kdrA:
2.9
2hdnH-4kdrA:
undetectable		 2hdnE-4kdrA:
10.94
2hdnF-4kdrA:
20.82
2hdnH-4kdrA:
20.82
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.
2HDN_H_TACH4888_1
(ELONGATION FACTOR
EF-TU)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		4 / 7 SER A  73
LEU A 225
THR A 127
ASP A  62
 None
None
None
SAH  A 301 ( 4.5A)
 0.92A 2hdnF-4kdrA:
2.9
2hdnG-4kdrA:
undetectable
2hdnH-4kdrA:
undetectable		 2hdnF-4kdrA:
20.82
2hdnG-4kdrA:
10.94
2hdnH-4kdrA:
20.82
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.
2X7H_B_PFNB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		4 / 4 TYR A  47
LEU A  43
LEU A 225
HIS A 210
 None
 1.40A 2x7hB-4kdrA:
9.4		 2x7hB-4kdrA:
22.83
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.
3CO4_A_GCSA401_1
(CHITINASE)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		3 / 3 GLU A  50
HIS A 236
HIS A 210
 None
 0.92A 3co4A-4kdrA:
undetectable		 3co4A-4kdrA:
22.12
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.
3R24_A_SAMA302_0
(2'-O-METHYL
TRANSFERASE)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		5 / 12 GLY A  32
LEU A  70
ASN A  41
ASP A  62
CYH A  65
 None
None
None
SAH  A 301 ( 4.5A)
None
 1.36A 3r24A-4kdrA:
8.5		 3r24A-4kdrA:
undetectable
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.
4LG1_A_SAMA301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE
(Escherichia
coli) 		5 / 12 GLY A  66
GLY A  87
ASP A  85
ALA A  24
GLU A 130
 SAH  A 301 (-3.2A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-2.9A)
None
None
 1.07A 4lg1A-4kdrA:
13.6		 4lg1A-4kdrA:
21.07