Receptor
PDB id Resolution Class Description Source Keywords
2QBW 1.8 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF PDZ-FIBRONECTIN FUSION PROTEIN HOMO SAPIENS FIBRONECTIN PDZ UNKNOWN FUNCTION
Ref.: DESIGN OF PROTEIN FUNCTION LEAPS BY DIRECTED DOMAIN INTERFACE EVOLUTION. PROC.NATL.ACAD.SCI.USA V. 105 6578 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PRO GLN PRO VAL ASP SER TRP VAL B:6;
 Valid;
 none;
 Kd = 56 nM
n/a n/a
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CH8 1.9 Å NON-ENZYME: OTHER THE CRYSTAL STRUCTURE OF PDZ-FIBRONECTIN FUSION PROTEIN HOMO SAPIENS FIBRONECTIN PDZ STRUCTURAL PROTEIN
Ref.: STRUCTURAL BASIS FOR EXQUISITE SPECIFICITY OF AFFINITY CLAMPS, SYNTHETIC BINDING PROTEINS GENERATED THROUGH DIRECTED DOMAIN-INTERFACE EVOLUTION. J.MOL.BIOL. V. 392 1221 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2QBW Kd = 56 nM PRO GLN PRO VAL ASP SER TRP VAL n/a n/a
2 3CH8 Kd = 56 nM PRO GLN PRO VAL ASP SER TRP VAL n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2QBW Kd = 56 nM PRO GLN PRO VAL ASP SER TRP VAL n/a n/a
2 3CH8 Kd = 56 nM PRO GLN PRO VAL ASP SER TRP VAL n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2QBW Kd = 56 nM PRO GLN PRO VAL ASP SER TRP VAL n/a n/a
2 3CH8 Kd = 56 nM PRO GLN PRO VAL ASP SER TRP VAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PRO GLN PRO VAL ASP SER TRP VAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: PRO GLN PRO VAL ASP SER TRP VAL; Similar ligands found: 1
No: Ligand Similarity coefficient
1 PRO GLN PRO VAL ASP SER TRP VAL 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CH8; Ligand: PRO GLN PRO VAL ASP SER TRP VAL; 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: 3ch8.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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