SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'AE4'


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.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		 2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens) 		5 / 12 LEU A 318
ALA A 122
ALA A  95
VAL A 338
GLY A 315
 AE4  A1346 ( 4.7A)
None
None
None
SO4  A1341 (-3.3A)
 1.03A 3c6gB-2c2nA:
undetectable		 3c6gB-2c2nA:
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.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		 2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens) 		6 / 12 LEU A 318
ALA A 123
ALA A  95
GLY A 315
GLU A 311
VAL A 288
 AE4  A1346 ( 4.7A)
None
None
SO4  A1341 (-3.3A)
None
None
 1.41A 3c6gB-2c2nA:
undetectable		 3c6gB-2c2nA:
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.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		 2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens) 		5 / 12 LEU A 318
VAL A  96
GLY A 313
GLU A 311
VAL A 288
 AE4  A1346 ( 4.7A)
None
None
None
None
 1.01A 3c6gB-2c2nA:
undetectable		 3c6gB-2c2nA:
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.
3HCN_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens) 		4 / 7 LEU A 339
PRO A  32
SER A  92
GLY A  35
 None
AE4  A1346 (-4.2A)
None
None
 1.03A 3hcnA-2c2nA:
undetectable		 3hcnA-2c2nA:
21.03
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.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens) 		4 / 7 LEU A 339
PRO A  32
SER A  92
GLY A  35
 None
AE4  A1346 (-4.2A)
None
None
 1.05A 3hcrB-2c2nA:
undetectable		 3hcrB-2c2nA:
21.03
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.
3RV5_C_DXCC92_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens) 		4 / 4 VAL A 261
PHE A  31
PHE A 116
VAL A 288
 None
None
AE4  A1346 (-3.9A)
None
 1.40A 3rv5C-2c2nA:
0.2
3rv5D-2c2nA:
0.2		 3rv5C-2c2nA:
13.47
3rv5D-2c2nA:
13.47
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.
5N0O_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens) 		5 / 12 ILE A  88
GLY A  33
PHE A 233
ALA A  87
VAL A 139
 None
AE4  A1346 (-3.7A)
None
None
None
 1.15A 5n0oA-2c2nA:
undetectable		 5n0oA-2c2nA:
22.15
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.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens) 		5 / 12 ILE A  88
GLY A  33
PHE A 233
ALA A  87
VAL A 139
 None
AE4  A1346 (-3.7A)
None
None
None
 1.15A 5n0oB-2c2nA:
undetectable		 5n0oB-2c2nA:
22.15
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.
5N0R_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens) 		5 / 12 ILE A  88
GLY A  33
PHE A 233
ALA A  87
VAL A 139
 None
AE4  A1346 (-3.7A)
None
None
None
 1.15A 5n0rA-2c2nA:
undetectable		 5n0rA-2c2nA:
22.30
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.
5N0W_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens) 		5 / 12 ILE A  88
GLY A  33
PHE A 233
ALA A  87
VAL A 139
 None
AE4  A1346 (-3.7A)
None
None
None
 1.15A 5n0wA-2c2nA:
undetectable		 5n0wA-2c2nA:
22.30
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.
5N0X_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens) 		5 / 12 ILE A  88
GLY A  33
PHE A 233
ALA A  87
VAL A 139
 None
AE4  A1346 (-3.7A)
None
None
None
 1.15A 5n0xB-2c2nA:
undetectable		 5n0xB-2c2nA:
22.30
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.
5NM5_B_LOCB502_2
(TUBULIN BETA-2B
CHAIN)		 4hhu OR280
(synthetic
construct) 		5 / 12 LEU A  20
LEU A  65
ILE A   6
ALA A  62
ILE A  47
 AE4  A 201 (-4.8A)
None
None
None
None
 1.06A 5nm5B-4hhuA:
undetectable		 5nm5B-4hhuA:
18.92
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.
5VW9_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE
(Homo
sapiens) 		4 / 8 SER A  92
GLY A 119
ALA A 122
GLY A  33
 None
None
None
AE4  A1346 (-3.7A)
 0.74A 5vw9A-2c2nA:
undetectable		 5vw9A-2c2nA:
21.93