Receptor
PDB id Resolution Class Description Source Keywords
6IHT 1.57 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF BACTERIAL SERINE PHOSPHATASE BOUND WITH PHOSPHORYLATED PEPTIDE STAPHYLOCOCCUS AUREUS BACTERIA PHOSPHATASE METAL BINDING HYDROLASE
Ref.: STRUCTURAL INSIGHT INTO THE MECHANISM OF STAPHYLOCO AUREUS STP1 PHOSPHATASE. ACS INFECT DIS. V. 5 841 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:304;
A:306;
A:303;
A:305;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
54.938 Mn [Mn+2...
MG A:302;
A:301;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
GLY GLY SEP X:1;
 Valid;
 none;
 submit data
297.16 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6IHT 1.57 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF BACTERIAL SERINE PHOSPHATASE BOUND WITH PHOSPHORYLATED PEPTIDE STAPHYLOCOCCUS AUREUS BACTERIA PHOSPHATASE METAL BINDING HYDROLASE
Ref.: STRUCTURAL INSIGHT INTO THE MECHANISM OF STAPHYLOCO AUREUS STP1 PHOSPHATASE. ACS INFECT DIS. V. 5 841 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 6IHT - GLY GLY SEP 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 6IHT - GLY GLY SEP 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 6IHT - GLY GLY SEP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLY GLY SEP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY GLY SEP 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY GLY SEP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6IHT; Ligand: GLY GLY SEP; 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: 6iht.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback