SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'HSE'


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.
2XYT_G_TC9G1206_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2vdj HOMOSERINE
O-SUCCINYLTRANSFERAS
E
(Bacillus
cereus) 		4 / 7 TYR A 263
CYH A 142
GLU A 237
TYR A 238
 None
HSE  A1298 (-3.3A)
None
None
 1.42A 2xytG-2vdjA:
0.0		 2xytG-2vdjA:
22.92
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.
2XYT_H_TC9H1206_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2vdj HOMOSERINE
O-SUCCINYLTRANSFERAS
E
(Bacillus
cereus) 		4 / 7 TYR A 263
CYH A 142
GLU A 237
TYR A 238
 None
HSE  A1298 (-3.3A)
None
None
 1.39A 2xytH-2vdjA:
0.0		 2xytH-2vdjA:
22.92
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.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		 2vdj HOMOSERINE
O-SUCCINYLTRANSFERAS
E
(Bacillus
cereus) 		3 / 3 MET A  44
HIS A 235
GLY A 144
 HSE  A1298 ( 3.8A)
HSE  A1298 (-3.9A)
None
 0.75A 5gwzB-2vdjA:
undetectable		 5gwzB-2vdjA:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5n0o PEPTIDE
N-METHYLTRANSFERASE
(Omphalotus
olearius) 		3 / 3 ALA A 130
GLN A 172
THR A 245
 SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
 0.04A 5n0oA-5n0oA:
50.1		 5n0oA-5n0oA:
100.00
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.
5N0R_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5n0o PEPTIDE
N-METHYLTRANSFERASE
(Omphalotus
olearius) 		4 / 4 SER A 129
ALA A 130
GLN A 172
THR A 245
 SAM  A 501 (-4.7A)
SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
 0.12A 5n0rA-5n0oA:
45.3		 5n0rA-5n0oA:
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.
5N0S_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5n0o PEPTIDE
N-METHYLTRANSFERASE
(Omphalotus
olearius) 		4 / 4 SER A 129
ALA A 130
GLN A 172
THR A 245
 SAM  A 501 (-4.7A)
SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
 0.10A 5n0sA-5n0oA:
43.8		 5n0sA-5n0oA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5N0S_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 5n0o PEPTIDE
N-METHYLTRANSFERASE
(Omphalotus
olearius) 		12 / 12 ILE A  19
HIS A 100
VAL A 103
PHE A 104
VAL A 105
SER A 129
PHE A 171
GLN A 172
TYR A 211
ILE A 212
ALA A 213
VAL A 243
 SAM  A 501 (-4.5A)
None
SAM  A 501 (-4.4A)
None
None
SAM  A 501 (-4.7A)
SAM  A 501 (-4.3A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-4.7A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.0A)
 0.24A 5n0sB-5n0oA:
21.8		 5n0sB-5n0oA:
99.75
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.
5N0T_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5n0o PEPTIDE
N-METHYLTRANSFERASE
(Omphalotus
olearius) 		4 / 5 SER A 129
ALA A 130
GLN A 172
THR A 245
 SAM  A 501 (-4.7A)
SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
 0.14A 5n0tA-5n0oA:
22.4		 5n0tA-5n0oA:
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.
5N0W_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5n0o PEPTIDE
N-METHYLTRANSFERASE
(Omphalotus
olearius) 		4 / 4 SER A 129
ALA A 130
GLN A 172
THR A 245
 SAM  A 501 (-4.7A)
SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
 0.11A 5n0wA-5n0oA:
43.8		 5n0wA-5n0oA:
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.
5N0W_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5n0o PEPTIDE
N-METHYLTRANSFERASE
(Omphalotus
olearius) 		5 / 5 TYR A  98
SER A 129
ALA A 130
GLN A 172
THR A 245
 SAM  A 501 (-4.7A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
 0.21A 5n0wB-5n0oA:
44.6		 5n0wB-5n0oA:
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.
5N0X_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5n0o PEPTIDE
N-METHYLTRANSFERASE
(Omphalotus
olearius) 		4 / 4 SER A 129
ALA A 130
GLN A 172
THR A 245
 SAM  A 501 (-4.7A)
SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
 0.11A 5n0xA-5n0oA:
45.3		 5n0xA-5n0oA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5N0X_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 5n0o PEPTIDE
N-METHYLTRANSFERASE
(Omphalotus
olearius) 		11 / 12 ILE A  19
TYR A  98
GLY A  99
HIS A 100
PHE A 104
VAL A 105
PHE A 171
GLN A 172
TYR A 211
ALA A 213
VAL A 243
 SAM  A 501 (-4.5A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.5A)
None
None
None
SAM  A 501 (-4.3A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.0A)
 0.10A 5n0xB-5n0oA:
45.7		 5n0xB-5n0oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5N0X_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 5n0o PEPTIDE
N-METHYLTRANSFERASE
(Omphalotus
olearius) 		8 / 12 ILE A  19
TYR A  98
GLY A  99
HIS A 100
VAL A 105
GLN A 172
ALA A 213
MET A 215
 SAM  A 501 (-4.5A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.5A)
None
None
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
None
 0.61A 5n0xB-5n0oA:
45.7		 5n0xB-5n0oA:
100.00
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.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 5n0o PEPTIDE
N-METHYLTRANSFERASE
(Omphalotus
olearius) 		5 / 5 TYR A  98
SER A 129
ALA A 130
GLN A 172
THR A 245
 SAM  A 501 (-4.7A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
 0.19A 5n4iA-5n0oA:
44.5		 5n4iA-5n0oA:
undetectable