Receptor
PDB id Resolution Class Description Source Keywords
3NHI 1.43 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE ANST-D7L1-LEUKOTRIENE C4 COMPLEX ANOPHELES STEPHENSI ALL HELICAL ODORANT-BINDING PROTEIN LIGAND-BINDING PROTEINTRANSPORT PROTEIN
Ref.: THE FUNCTION AND THREE-DIMENSIONAL STRUCTURE OF A THROMBOXANE A(2)/CYSTEINYL LEUKOTRIENE-BINDING PROT THE SALIVA OF A MOSQUITO VECTOR OF THE MALARIA PARA PLOS BIOL. V. 8 E1000 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EAH A:1;
Valid;
none;
submit data
320.466 C20 H32 O3 CCCCC...
GOL A:298;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:299;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NHT 1.45 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE ANST-D7L1-U46619 COMPLEX ANOPHELES STEPHENSI ALL-HELICAL ODORANT-BINDING PROTEIN LIGAND-BINDING PROTEINTRANSPORT PROTEIN
Ref.: THE FUNCTION AND THREE-DIMENSIONAL STRUCTURE OF A THROMBOXANE A(2)/CYSTEINYL LEUKOTRIENE-BINDING PROT THE SALIVA OF A MOSQUITO VECTOR OF THE MALARIA PARA PLOS BIOL. V. 8 E1000 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3NHT Kd = 98 nM U46 C21 H34 O4 CCCCC[C@H]....
2 3NHI - 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 3NHT Kd = 98 nM U46 C21 H34 O4 CCCCC[C@H]....
2 3NHI - 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 : 3NHT; Ligand: U46; Similar sites found: 8
This union binding pocket(no: 1) in the query (biounit: 3nht.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1PSC EBP 0.0293 0.40418 1.68919
2 5KDX GAL TNR 0.03564 0.40037 2.36486
3 4GID 0GH 0.0377 0.40739 2.7027
4 3SHZ 5CO 0.02479 0.4006 2.88184
5 4YMU ARG 0.02332 0.41076 4.54545
6 5UGW GSH 0.00001271 0.56297 4.57143
7 3ZJQ NCA 0.02112 0.40831 8.20513
8 5V13 JH3 0.0000001757 0.54158 35.0694
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