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 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 1256 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 1068 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 922 families.
1 4WYU Kd = 7.3 uM SER TRP PHE GLN THR ASP LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER TRP PHE GLN THR ASP LEU; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
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: 12
This union binding pocket(no: 1) in the query (biounit: 4wyu.bio2) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5C5H 4YB 0.01044 0.41065 2.83019
2 5ECP MET 0.03413 0.40025 2.83019
3 5ECP JAA 0.03413 0.40025 2.83019
4 1U1J C2F 0.01823 0.40601 3.30189
5 2Z8L NAG FUC SIA GAL 0.02402 0.40667 4.80769
6 2GU8 796 0.02976 0.41186 7.54717
7 5U98 1KX 0.04306 0.40631 8.08081
8 1QMG DMV 0.01639 0.41151 8.49057
9 4C2C ALA VAL PRO ALA 0.004225 0.41901 10.8491
10 2Z9I GLY ALA THR VAL 0.00009182 0.41041 10.8491
11 1L6O SER LEU LYS LEU MET THR THR VAL 0.001186 0.4374 37.8947
12 1RZX ACE VAL LYS GLU SER LEU VAL 0.00000001117 0.57244 48.9796
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