Receptor
PDB id Resolution Class Description Source Keywords
4WYU 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SCRIBBLE PDZ34 TANDEM IN COMPLEX WITH I PEPTIDE HOMO SAPIENS PDZ TANDEM PBM STRUCTURAL PROTEIN-PEPTIDE COMPLEX
Ref.: INTERDOMAIN INTERFACE-MEDIATED TARGET RECOGNITION B SCRIBBLE PDZ34 SUPRAMODULE. BIOCHEM.J. V. 468 133 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IOD B:303;
A:301;
A:302;
B:304;
A:303;
B:301;
B:302;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
126.904 I [I-]
SER TRP PHE GLN THR ASP LEU C:-6;
D:-6;
 Valid;
Valid;
 none;
none;
 Kd = 7.3 uM
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WYU 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SCRIBBLE PDZ34 TANDEM IN COMPLEX WITH I PEPTIDE HOMO SAPIENS PDZ TANDEM PBM STRUCTURAL PROTEIN-PEPTIDE COMPLEX
Ref.: INTERDOMAIN INTERFACE-MEDIATED TARGET RECOGNITION B SCRIBBLE PDZ34 SUPRAMODULE. BIOCHEM.J. V. 468 133 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4WYU Kd = 7.3 uM SER TRP PHE GLN THR ASP LEU n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4WYU Kd = 7.3 uM SER TRP PHE GLN THR ASP LEU n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4WYU Kd = 7.3 uM SER TRP PHE GLN THR ASP LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SER TRP PHE GLN THR ASP LEU; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: SER TRP PHE GLN THR ASP LEU; Similar ligands found: 1
No: Ligand Similarity coefficient
1 SER TRP PHE GLN THR ASP LEU 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WYU; Ligand: SER TRP PHE GLN THR ASP LEU; 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: 4wyu.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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