Receptor
PDB id Resolution Class Description Source Keywords
6Q0N 1.18 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE OF THE ERBIN PDB DOMAIN IN COMPLEX WITH A HIGH-AFF PEPTIDE HOMO SAPIENS COMPLEX HIGH-AFFINITY SPECIFICITY SIGNALING PROTEIN
Ref.: COMPREHENSIVE ANALYSIS OF ALL EVOLUTIONARY PATHS BE DIVERGENT PDZ DOMAIN SPECIFICITIES. PROTEIN SCI. V. 29 433 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
THR GLY TYR GLU THR TRP VAL D:-5;
C:-3;
Valid;
Valid;
none;
Atoms found LESS than expected: % Diff = 0.23;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MFG 1.25 Å NON-ENZYME: SIGNAL_HORMONE THE STRUCTURE OF ERBIN PDZ DOMAIN BOUND TO THE CARBOXY- TERMINAL TAIL OF THE ERBB2 RECEPTOR HOMO SAPIENS PDZ DOMAIN PROTEIN-PEPTIDE COMPLEX ERB-B2 ERBIN. SIGNALING PROTEIN
Ref.: NOVEL MODE OF LIGAND RECOGNITION BY THE ERBIN PDZ DOMAIN J.BIOL.CHEM. V. 278 1399 2003
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 6Q0U - TYR TYR GLU SER GLY TRP LEU n/a n/a
2 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
3 6Q0M - TYR TYR GLU SER ASP TRP LEU n/a n/a
4 6Q0N - THR GLY TYR GLU THR TRP VAL n/a n/a
5 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6Q0U - TYR TYR GLU SER GLY TRP LEU n/a n/a
2 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
3 6Q0M - TYR TYR GLU SER ASP TRP LEU n/a n/a
4 6Q0N - THR GLY TYR GLU THR TRP VAL n/a n/a
5 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL n/a n/a
50% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6MS1 Kd = 5970 nM GLY SER TYR LEU VAL THR SER VAL n/a n/a
2 3DIW Kd = 0.19 uM ASN GLN LEU ALA TRP PHE ASP THR ASP LEU n/a n/a
3 2AWX - HIS HIS n/a n/a
4 2AWU - ALA HIS HIS n/a n/a
5 6Q0U - TYR TYR GLU SER GLY TRP LEU n/a n/a
6 1MFL Kd ~ 128 uM GLU PTR LEU GLY LEU ASP VAL PRO VAL n/a n/a
7 6Q0M - TYR TYR GLU SER ASP TRP LEU n/a n/a
8 6Q0N - THR GLY TYR GLU THR TRP VAL n/a n/a
9 1MFG Kd ~ 50 uM GLU TYR LEU GLY LEU ASP VAL PRO VAL n/a n/a
10 5WOU Kd = 664 nM LEU PRO SER PHE GLU THR ALA LEU n/a n/a
11 6MTU Kd = 6083 nM PRO HIS THR ASN GLU THR SEP LEU n/a n/a
12 5VWK - PRO ALA TRP ASP GLU THR ASN LEU n/a n/a
13 5VWI - PRO ALA TRP ASP GLU THR ASN LEU n/a n/a
14 2I0L - ARG ARG ARG GLU THR GLN VAL n/a n/a
15 1N7F - ALA THR VAL ARG THR TYR SER CYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: THR GLY TYR GLU THR TRP VAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: THR GLY TYR GLU THR TRP VAL; Similar ligands found: 1
No: Ligand Similarity coefficient
1 THR GLY TYR GLU THR TRP VAL 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MFG; Ligand: GLU TYR LEU GLY LEU ASP VAL PRO 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: 1mfg.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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