Receptor
PDB id Resolution Class Description Source Keywords
6b67 2.2 Å EC: 3.1.3.16 HUMAN PP2CALPHA (PPM1A) COMPLEXED WITH CYCLIC PEPTIDE C(MPSI HOMO SAPIENS PHOSPHATASE HYDROLASE
Ref.: A TRAPPED HUMAN PPM1A-PHOSPHOPEPTIDE COMPLEX REVEAL STRUCTURAL FEATURES CRITICAL FOR REGULATION OF PPM PHOSPHATASE ACTIVITY. J. BIOL. CHEM. V. 293 7993 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET SEP ILE PTR VAL ALA 48V D:1;
F:1;
E:1;
 Valid;
Valid;
Valid;
 none;
none;
none;
 Kd = 8.9 uM
980.948 n/a S(CCC...
CA B:301;
A:304;
A:303;
A:302;
B:303;
B:302;
C:302;
C:303;
A:301;
C:301;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6B67 2.2 Å EC: 3.1.3.16 HUMAN PP2CALPHA (PPM1A) COMPLEXED WITH CYCLIC PEPTIDE C(MPSI HOMO SAPIENS PHOSPHATASE HYDROLASE
Ref.: A TRAPPED HUMAN PPM1A-PHOSPHOPEPTIDE COMPLEX REVEAL STRUCTURAL FEATURES CRITICAL FOR REGULATION OF PPM PHOSPHATASE ACTIVITY. J. BIOL. CHEM. V. 293 7993 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 6B67 Kd = 8.9 uM MET SEP ILE PTR VAL ALA 48V 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 18 families.
1 6B67 Kd = 8.9 uM MET SEP ILE PTR VAL ALA 48V 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 13 families.
1 6B67 Kd = 8.9 uM MET SEP ILE PTR VAL ALA 48V n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MET SEP ILE PTR VAL ALA 48V; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MET SEP ILE PTR VAL ALA 48V 1 1
2 ASP ALA ASP GLU FLT LEU AEA 0.441379 0.785714
3 PTR VAL ASN VAL 011 0.4 0.788732
Similar Ligands (3D)
Ligand no: 1; Ligand: MET SEP ILE PTR VAL ALA 48V; 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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