SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'AE3'


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.
1D4F_D_ADND604_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 5tjz 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 212
ASP A 210
LEU A 131
LEU A 190
GLY A 189
 None
AE3  A 305 (-3.6A)
None
None
None
 1.49A 1d4fD-5tjzA:
7.1		 1d4fD-5tjzA:
11.62
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.
1HTT_B_HISB450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE
(Pseudomonas
sp.
VM15C) 		5 / 12 THR A 176
GLU A 126
GLY A 231
TYR A 200
GLY A 127
 AE3  A 900 ( 4.8A)
None
None
None
None
 1.13A 1httB-3wweA:
undetectable		 1httB-3wweA:
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.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE
(Pseudomonas
sp.
VM15C) 		5 / 12 THR A 176
GLU A 126
GLY A 231
TYR A 200
GLY A 127
 AE3  A 900 ( 4.8A)
None
None
None
None
 1.12A 1httC-3wweA:
undetectable		 1httC-3wweA:
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.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE
(Pseudomonas
sp.
VM15C) 		5 / 11 GLY A 174
SER A  66
SER A 172
ASN A 120
THR A 176
 None
AE3  A 900 ( 4.0A)
AE3  A 900 (-3.0A)
AE3  A 900 (-3.4A)
AE3  A 900 ( 4.8A)
 1.41A 2hmaA-3wweA:
undetectable		 2hmaA-3wweA:
23.24
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.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2jhe TRANSCRIPTION
REGULATOR TYRR
(Escherichia
coli) 		5 / 10 ILE A  31
ILE A  33
GLY A  37
PHE A   6
LEU A  17
 None
AE3  A1191 (-4.6A)
AE3  A1191 (-3.4A)
None
None
 1.18A 3elzB-2jheA:
undetectable		 3elzB-2jheA:
20.31
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE
(Pseudomonas
sp.
VM15C) 		5 / 12 THR A 176
GLU A 126
GLY A 231
TYR A 200
GLY A 127
 AE3  A 900 ( 4.8A)
None
None
None
None
 1.08A 5e3iA-3wweA:
undetectable		 5e3iA-3wweA:
20.63
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE
(Pseudomonas
sp.
VM15C) 		5 / 11 THR A 176
GLU A 126
GLY A 231
TYR A 200
GLY A 127
 AE3  A 900 ( 4.8A)
None
None
None
None
 1.09A 5e3iB-3wweA:
undetectable		 5e3iB-3wweA:
20.63
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.
5JQ7_B_T0RB705_2
(ENVELOPE
GLYCOPROTEIN 2)		 2jhe TRANSCRIPTION
REGULATOR TYRR
(Escherichia
coli) 		4 / 7 LEU A  54
THR A  14
MET A  55
LEU A  46
 None
AE3  A1191 (-4.3A)
None
None
 1.08A 5jq7B-2jheA:
undetectable		 5jq7B-2jheA:
18.23