Receptor
PDB id Resolution Class Description Source Keywords
6twu 2.4 Å EC: 2.-.-.- MAGI1_2 COMPLEXED WITH A PHOSPHOMIMETIC 16E6 PEPTIDE HOMO SAPIENS PHOSPHORYLATION MOTIF PDZ DOMAIN PEPTIDE BINDING PROTEIN
Ref.: DUAL SPECIFICITY PDZ- AND 14-3-3-BINDING MOTIFS: A STRUCTURAL AND INTERACTOMICS STUDY. STRUCTURE V. 28 747 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:902;
A:903;
A:901;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
CA B:906;
A:907;
B:907;
B:904;
A:905;
A:908;
B:908;
A:904;
B:909;
B:905;
A:906;
 Invalid;
Invalid;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Invalid;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
CIT B:901;
A:902;
B:903;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
192.124 C6 H8 O7 C(C(=...
SER SER ARG THR ARG ARG GLU GLU GLN LEU C:156;
 Valid;
 Atoms found LESS than expected: % Diff = 0.693;
 Kd ~ 1 mM
386.405 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6TWU 2.4 Å EC: 2.-.-.- MAGI1_2 COMPLEXED WITH A PHOSPHOMIMETIC 16E6 PEPTIDE HOMO SAPIENS PHOSPHORYLATION MOTIF PDZ DOMAIN PEPTIDE BINDING PROTEIN
Ref.: DUAL SPECIFICITY PDZ- AND 14-3-3-BINDING MOTIFS: A STRUCTURAL AND INTERACTOMICS STUDY. STRUCTURE V. 28 747 2020
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 313 families.
1 6TWU Kd ~ 1 mM SER SER ARG THR ARG ARG GLU GLU GLN LEU n/a n/a
2 6TWX Kd ~ 2.5 mM SER SER ARG THR ARG ARG GLU TPO GLN LEU n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6TWU Kd ~ 1 mM SER SER ARG THR ARG ARG GLU GLU GLN LEU n/a n/a
2 6TWX Kd ~ 2.5 mM SER SER ARG THR ARG ARG GLU TPO GLN LEU n/a n/a
3 2HYU - SGN IDS SGN UAP n/a n/a
4 2HYV - IDS SGN IDS SGN UAP n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6TWU Kd ~ 1 mM SER SER ARG THR ARG ARG GLU GLU GLN LEU n/a n/a
2 6TWX Kd ~ 2.5 mM SER SER ARG THR ARG ARG GLU TPO GLN LEU n/a n/a
3 2HYU - SGN IDS SGN UAP n/a n/a
4 2HYV - IDS SGN IDS SGN UAP n/a n/a
5 1A8B - GPE C5 H14 N O6 P C(CO[P@](=....
6 1A8A - GSE C6 H14 N O8 P C([C@H](CO....
7 1G5N - SGN IDS SGN UAP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SER SER ARG THR ARG ARG GLU GLU GLN LEU; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 SER SER ARG THR ARG ARG GLU GLU GLN LEU 1 1
2 SER SER ARG THR ARG ARG GLU TPO GLN LEU 0.685714 0.75
3 HIS GLU GLU LEU ALA LYS LEU 0.589041 0.9
4 LEU GLU 0.491525 0.916667
5 GLU GLU GLN GLU GLU TYR 0.486111 0.727273
6 ALA LEU 0.481481 0.805556
7 GLU VAL 0.465517 0.916667
8 ARG GLU ASP GLN GLU THR ALA VAL 0.465116 0.833333
9 GLU ASP LEU 0.447761 0.945946
10 THR ARG ARG GLU THR GLN LEU 0.444444 0.692308
11 SER ASP TYR GLN ARG LEU 0.44086 0.666667
12 ACE GLN LEU VAL THR SER LEU 0.433735 0.76087
13 ALA GLN 0.431034 0.861111
14 GLN LYS 0.430769 0.8
15 ALA GLU LYS ASP GLU LEU 0.43038 0.857143
16 LEU ALA SER LEU GLU SER GLN SER 0.428571 0.818182
17 ACE GLU ALA GLN THR ARG LEU 0.416667 0.705882
18 TRP GLU GLU LEU 0.413793 0.765957
19 MET ASN GLU ASN ILE 0.413333 0.809524
20 GLU ALA GLN THR ARG LEU 0.412371 0.72
21 PHE LEU 0.405797 0.769231
22 TYR GLN SER LYS LEU 0.402174 0.692308
Similar Ligands (3D)
Ligand no: 1; Ligand: SER SER ARG THR ARG ARG GLU GLU GLN LEU; 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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