Receptor
PDB id Resolution Class Description Source Keywords
6x23 2.15 Å NON-ENZYME: OTHER PDZ DOMAIN FROM CHOANOFLAGELLATE SHANK1 (MBSHANK1) BOUND TO PEPTIDE MONOSIGA BREVICOLLIS PDZ PROTEIN-PROTEIN INTERACTION PEPTIDE-BINDING DOMAIN CHOANOFLAGELLATE MONOSIGA BREVICOLLIS SIGNALING PROTEIN
Ref.: STRUCTURAL CHARACTERIZATION AND COMPUTATIONAL ANALY PDZ DOMAINS IN MONOSIGA BREVICOLLIS. PROTEIN SCI. V. 29 2226 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LEU PRO PRO PRO GLU SER GLU SER LYS VAL B:4;
 Valid;
 Atoms found LESS than expected: % Diff = 0.289;
 ic50 = 3.5 uM
773.818 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6X23 2.15 Å NON-ENZYME: OTHER PDZ DOMAIN FROM CHOANOFLAGELLATE SHANK1 (MBSHANK1) BOUND TO PEPTIDE MONOSIGA BREVICOLLIS PDZ PROTEIN-PROTEIN INTERACTION PEPTIDE-BINDING DOMAIN CHOANOFLAGELLATE MONOSIGA BREVICOLLIS SIGNALING PROTEIN
Ref.: STRUCTURAL CHARACTERIZATION AND COMPUTATIONAL ANALY PDZ DOMAINS IN MONOSIGA BREVICOLLIS. PROTEIN SCI. V. 29 2226 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6X23 ic50 = 3.5 uM LEU PRO PRO PRO GLU SER GLU SER LYS VAL 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 6X23 ic50 = 3.5 uM LEU PRO PRO PRO GLU SER GLU SER LYS VAL 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 6X23 ic50 = 3.5 uM LEU PRO PRO PRO GLU SER GLU SER LYS VAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LEU PRO PRO PRO GLU SER GLU SER LYS VAL; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 LEU PRO PRO PRO GLU SER GLU SER LYS VAL 1 1
2 PRO LEU SER LYS 0.625 0.943396
3 ACE VAL LYS GLU SER LEU VAL 0.619565 0.830189
4 PRO SER ARG VAL 0.604396 0.844828
5 PRO THR SER SER GLU GLN ILE 0.564356 0.909091
6 ALA LYS GLU LYS SER ASP 0.533333 0.846154
7 GLY SER LYS MET GLU GLU VAL ASP 0.524272 0.824561
8 PRO THR VAL GLU GLU VAL ASP 0.515152 0.943396
9 THR ASN GLU TYR LYS VAL 0.476636 0.728814
10 GLU GLN TYR LYS PHE TYR SER VAL 0.457627 0.766667
11 PRO LYS LYS THR GLY 3LX 0.45 0.786885
12 PRO VAL LYS ARG ARG LEU ASP LEU GLU 0.448 0.813559
13 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.447761 0.83871
14 PRO HIS ARG VAL 0.447619 0.762712
15 PRO SER ILE ASP ARG SER THR LYS PRO 0.441176 0.75
16 PRO PRO LEU ALA SER LYS 0.439655 0.833333
17 THR LYS ASN TYR LYS GLN PHE SER VAL 0.421488 0.754098
18 PRO SER M3L PHE NLW 0.421053 0.78125
19 ALA GLU LYS ASP GLU LEU 0.418367 0.773585
20 PRO ILE VAL 0.41573 0.814815
21 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.412214 0.770492
22 GLU LYS PRO SER SER SER 0.409091 0.844828
23 CYS THR GLU LEU LYS LEU SER ASP TYR 0.40625 0.766667
24 LEU PRO PHE GLU LYS SER THR VAL MET 0.405594 0.787879
25 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.40404 0.811321
26 SER LEU LYS LEU MET THR THR VAL 0.40367 0.758621
27 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.403361 0.821429
28 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.401639 0.779661
29 THR LYS ASN TYR LYS GLN THR SER VAL 0.401575 0.79661
30 LEU PRO PRO GLU GLU ARG LEU ILE 0.401575 0.686567
31 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.4 0.819672
Similar Ligands (3D)
Ligand no: 1; Ligand: LEU PRO PRO PRO GLU SER GLU SER LYS VAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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