Receptor
PDB id Resolution Class Description Source Keywords
5h9n 1.28 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF LTBP1 Y114A MUTANT IN COMPLEX WITH LEUK RHODNIUS PROLIXUS LIPOCALIN RHODNIUS SALIVARY TRANSPORT PROTEIN
Ref.: STRUCTURE AND LIGAND-BINDING MECHANISM OF A CYSTEIN LEUKOTRIENE-BINDING PROTEIN FROM A BLOOD-FEEDING DI VECTOR. ACS CHEM.BIOL. V. 11 1934 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LTX A:201;
 Valid;
 none;
 Ka = 21000000 M^-1
625.774 C30 H47 N3 O9 S CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5HA0 1.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE LTBP1 LEUKOTRIENE D4 COMPLEX RHODNIUS PROLIXUS LIPOCALIN LEUKOTRIENE RHODNIUS SALIVARY TRANSPORT PROTEI
Ref.: STRUCTURE AND LIGAND-BINDING MECHANISM OF A CYSTEIN LEUKOTRIENE-BINDING PROTEIN FROM A BLOOD-FEEDING DI VECTOR. ACS CHEM.BIOL. V. 11 1934 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5HAE - EAH C20 H32 O3 CCCCCC=C/C....
2 5HA0 Kd < 1 nM LTD C25 H40 N2 O6 S CCCCC/C=CC....
3 5H9L - EAH C20 H32 O3 CCCCCC=C/C....
4 5H9N Ka = 21000000 M^-1 LTX C30 H47 N3 O9 S CCCCC/C=CC....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5HAE - EAH C20 H32 O3 CCCCCC=C/C....
2 5HA0 Kd < 1 nM LTD C25 H40 N2 O6 S CCCCC/C=CC....
3 5H9L - EAH C20 H32 O3 CCCCCC=C/C....
4 5H9N Ka = 21000000 M^-1 LTX C30 H47 N3 O9 S CCCCC/C=CC....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5HAE - EAH C20 H32 O3 CCCCCC=C/C....
2 5HA0 Kd < 1 nM LTD C25 H40 N2 O6 S CCCCC/C=CC....
3 5H9L - EAH C20 H32 O3 CCCCCC=C/C....
4 5H9N Ka = 21000000 M^-1 LTX C30 H47 N3 O9 S CCCCC/C=CC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LTX; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 LTX 1 1
2 LTD 0.714286 1
3 BOB 0.504673 0.958333
4 TGG 0.474747 0.791667
5 0HH 0.457143 0.916667
6 GSM 0.447917 0.77551
7 GDS 0.4375 0.745098
8 GS8 0.4375 0.654545
9 AHE 0.428571 0.72
10 HGD 0.424242 0.711538
11 P9H 0.40708 0.76
Similar Ligands (3D)
Ligand no: 1; Ligand: LTX; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5HA0; Ligand: LTD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5ha0.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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