Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:298;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
U46 A:1;
Valid;
none;
Kd = 98 nM
350.492 C21 H34 O4 CCCCC...
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: U46; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 U46 1 1
2 PWZ 0.698795 1
3 PG2 0.545455 0.714286
4 U51 0.43956 0.64
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
Feedback