Receptor
PDB id Resolution Class Description Source Keywords
3DZT 1.8 Å NON-ENZYME: OTHER AED7-LEUKOTRIENE E4 COMPLEX AEDES AEGYPTI ODORANT-BINDING PROTEIN ALL-HELICAL SECRETED ALLERGEN
Ref.: MULTIFUNCTIONALITY AND MECHANISM OF LIGAND BINDING MOSQUITO ANTIINFLAMMATORY PROTEIN PROC.NATL.ACAD.SCI.USA V. 106 3728 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:304;
Invalid;
none;
submit data
35.453 Cl [Cl-]
EAH A:305;
Valid;
none;
Kd = 60 nM
320.466 C20 H32 O3 CCCCC...
GOL A:307;
A:308;
A:309;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TRS A:306;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3DZT 1.8 Å NON-ENZYME: OTHER AED7-LEUKOTRIENE E4 COMPLEX AEDES AEGYPTI ODORANT-BINDING PROTEIN ALL-HELICAL SECRETED ALLERGEN
Ref.: MULTIFUNCTIONALITY AND MECHANISM OF LIGAND BINDING MOSQUITO ANTIINFLAMMATORY PROTEIN PROC.NATL.ACAD.SCI.USA V. 106 3728 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3DYE - LNR C8 H11 N O3 c1cc(c(cc1....
2 3DZT Kd = 60 nM EAH C20 H32 O3 CCCCCC=C/C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3DYE - LNR C8 H11 N O3 c1cc(c(cc1....
2 3DZT Kd = 60 nM EAH C20 H32 O3 CCCCCC=C/C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3DYE - LNR C8 H11 N O3 c1cc(c(cc1....
2 3DZT Kd = 60 nM EAH C20 H32 O3 CCCCCC=C/C....
3 3NHT Kd = 98 nM U46 C21 H34 O4 CCCCC[C@H]....
4 3NHI - EAH C20 H32 O3 CCCCCC=C/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EAH; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 EAH 1 1
2 DJ3 0.506849 0.78125
3 ACD 0.491525 0.884615
4 EIC 0.47541 0.884615
5 RCL 0.434783 0.961538
6 OCR 0.416667 0.925926
7 1AG 0.408451 0.735294
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3DZT; Ligand: EAH; Similar sites found: 8
This union binding pocket(no: 1) in the query (biounit: 3dzt.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XM4 PIL 0.01654 0.40088 0.990099
2 5M67 3D1 0.01228 0.41641 2.08768
3 1B4N GUA 0.01367 0.41925 3.9604
4 2Q0D ATP 0.007129 0.40899 3.96601
5 3TDC 0EU 0.01205 0.43151 5.61056
6 3TL1 JRO 0.02599 0.40302 8.1761
7 2A06 SMA 0.01376 0.4012 12.8205
8 5V13 JH3 0.00000008238 0.58562 37.5
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