Receptor
PDB id Resolution Class Description Source Keywords
6YN0 2.4 Å EC: 2.4.1.129 STRUCTURE OF E. COLI PBP1B WITH A FTSN PEPTIDE ACTIVATING TRANSGLYCOSYLASE ACTIVITY ESCHERICHIA COLI (STRAIN K12) GLYCOSYL TRANSFERASE PENICILLIN BINDING PROTEIN PEPTIDOGLYSYNTHESIS TRANSFERASE
Ref.: THE BACTERIAL CELL DIVISION PROTEIN FRAGMENT E FTSN AND ACTIVATES THE MAJOR PEPTIDOGLYCAN SYNTHASE PBP1 J.BIOL.CHEM. 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M0E A:901;
 Valid;
 Atoms found LESS than expected: % Diff = 0.294;
 submit data
1580.57 C69 H106 N5 O34 P C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6YN0 2.4 Å EC: 2.4.1.129 STRUCTURE OF E. COLI PBP1B WITH A FTSN PEPTIDE ACTIVATING TRANSGLYCOSYLASE ACTIVITY ESCHERICHIA COLI (STRAIN K12) GLYCOSYL TRANSFERASE PENICILLIN BINDING PROTEIN PEPTIDOGLYSYNTHESIS TRANSFERASE
Ref.: THE BACTERIAL CELL DIVISION PROTEIN FRAGMENT E FTSN AND ACTIVATES THE MAJOR PEPTIDOGLYCAN SYNTHASE PBP1 J.BIOL.CHEM. 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6YN0 - M0E C69 H106 N5 O34 P C[C@@H]1[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6YN0 - M0E C69 H106 N5 O34 P C[C@@H]1[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6YN0 - M0E C69 H106 N5 O34 P C[C@@H]1[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: M0E; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 M0E 1 1
2 M4O 0.743017 0.945946
Similar Ligands (3D)
Ligand no: 1; Ligand: M0E; 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 : 6YN0; Ligand: M0E; 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: 6yn0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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