SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4fd6'

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.
1JG4_A_SAMA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)
4fd6 ARYLALKYLAMINE
N-ACETYLTRANSFERASE
2

(Aedes
aegypti)
4 / 8 GLY A  82
ILE A 135
LEU A  80
ASP A 170
None
0.93A 1jg4A-4fd6A:
undetectable
1jg4A-4fd6A:
22.99
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.
2JJP_A_KLNA413_1
(CYTOCHROME P450
113A1)
4fd6 ARYLALKYLAMINE
N-ACETYLTRANSFERASE
2

(Aedes
aegypti)
5 / 12 LEU A 214
ALA A 171
THR A 169
GLN A 124
ILE A 119
None
1.29A 2jjpA-4fd6A:
undetectable
2jjpA-4fd6A:
17.72
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.
2Q72_A_IXXA802_1
(TRANSPORTER)
4fd6 ARYLALKYLAMINE
N-ACETYLTRANSFERASE
2

(Aedes
aegypti)
4 / 6 ILE A 133
SER A 155
ARG A 162
ILE A  83
None
1.17A 2q72A-4fd6A:
undetectable
2q72A-4fd6A:
17.27
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.
2QHF_A_ACTA502_0
(CHORISMATE SYNTHASE)
4fd6 ARYLALKYLAMINE
N-ACETYLTRANSFERASE
2

(Aedes
aegypti)
3 / 3 GLY A  82
ASP A  62
SER A  65
None
0.74A 2qhfA-4fd6A:
undetectable
2qhfA-4fd6A:
19.90
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.
3KO0_B_TFPB202_1
(PROTEIN S100-A4)
4fd6 ARYLALKYLAMINE
N-ACETYLTRANSFERASE
2

(Aedes
aegypti)
3 / 3 GLU A 157
LEU A 160
ASP A 161
None
0.39A 3ko0A-4fd6A:
undetectable
3ko0A-4fd6A:
16.59
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.
3KO0_S_TFPS202_2
(PROTEIN S100-A4)
4fd6 ARYLALKYLAMINE
N-ACETYLTRANSFERASE
2

(Aedes
aegypti)
3 / 3 GLU A 157
LEU A 160
ASP A 161
None
0.26A 3ko0T-4fd6A:
undetectable
3ko0T-4fd6A:
16.59
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.
4DRH_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)
4fd6 ARYLALKYLAMINE
N-ACETYLTRANSFERASE
2

(Aedes
aegypti)
5 / 12 ASP A  72
GLN A  28
ILE A  75
LYS A   5
ILE A   9
None
1.28A 4drhA-4fd6A:
undetectable
4drhA-4fd6A:
24.76
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.
4OJB_A_198A1001_2
(ANDROGEN RECEPTOR)
4fd6 ARYLALKYLAMINE
N-ACETYLTRANSFERASE
2

(Aedes
aegypti)
4 / 7 LEU A  80
ASN A  81
ILE A 152
VAL A 179
None
0.86A 4ojbA-4fd6A:
undetectable
4ojbA-4fd6A:
21.80
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.
4P65_I_IPHI101_0
(INSULIN)
4fd6 ARYLALKYLAMINE
N-ACETYLTRANSFERASE
2

(Aedes
aegypti)
5 / 12 VAL A  22
HIS A  25
LEU A  26
ILE A  75
LEU A 151
None
0.89A 4p65B-4fd6A:
undetectable
4p65D-4fd6A:
undetectable
4p65I-4fd6A:
undetectable
4p65J-4fd6A:
undetectable
4p65B-4fd6A:
9.95
4p65D-4fd6A:
9.95
4p65I-4fd6A:
7.21
4p65J-4fd6A:
9.95
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.
4P65_K_IPHK101_0
(INSULIN)
4fd6 ARYLALKYLAMINE
N-ACETYLTRANSFERASE
2

(Aedes
aegypti)
5 / 12 VAL A  22
HIS A  25
LEU A  26
ILE A  75
LEU A 151
None
0.87A 4p65F-4fd6A:
undetectable
4p65H-4fd6A:
undetectable
4p65K-4fd6A:
undetectable
4p65L-4fd6A:
undetectable
4p65F-4fd6A:
9.95
4p65H-4fd6A:
9.95
4p65K-4fd6A:
7.21
4p65L-4fd6A:
9.95