Receptor
PDB id Resolution Class Description Source Keywords
6FTB 2.1 Å EC: 2.4.-.- STAPHYLOCOCCUS AUREUS MONOFUNCTIONAL GLYCOSYLTRANSFERASE IN WITH MOENOMYCIN STAPHYLOCOCCUS AUREUS MW2 TRANSGLYCOSYLASE PEPTIDOGLYCAN MONOFUNCTIONAL MOENOMYCININHIBITOR MEMBRANE CELL SHAPE CELL WALL BIOSYNTHESIS GLYCOSYLTRANSFERASE PEPTIDOGLYCAN SYNTHESIS TRANSFERASE ANTIBIOTICS
Ref.: THE ROLE OF THE JAW SUBDOMAIN OF PEPTIDOGLYCAN GLYCOSYLTRANSFERASES FOR LIPID II POLYMERIZATION. CELL SURF V. 2 54 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:304;
A:309;
A:307;
A:306;
A:310;
A:308;
A:305;
A:311;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
M0E A:301;
A:302;
A:303;
Valid;
Valid;
Valid;
none;
Atoms found LESS than expected: % Diff = 0.807;
Atoms found LESS than expected: % Diff = 0.817;
submit data
1580.57 C69 H106 N5 O34 P C[C@@...
PO4 A:312;
A:313;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
1QW A:314;
Invalid;
none;
submit data
274.396 C15 H30 O4 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FTB 2.1 Å EC: 2.4.-.- STAPHYLOCOCCUS AUREUS MONOFUNCTIONAL GLYCOSYLTRANSFERASE IN WITH MOENOMYCIN STAPHYLOCOCCUS AUREUS MW2 TRANSGLYCOSYLASE PEPTIDOGLYCAN MONOFUNCTIONAL MOENOMYCININHIBITOR MEMBRANE CELL SHAPE CELL WALL BIOSYNTHESIS GLYCOSYLTRANSFERASE PEPTIDOGLYCAN SYNTHESIS TRANSFERASE ANTIBIOTICS
Ref.: THE ROLE OF THE JAW SUBDOMAIN OF PEPTIDOGLYCAN GLYCOSYLTRANSFERASES FOR LIPID II POLYMERIZATION. CELL SURF V. 2 54 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HZS - M0E C69 H106 N5 O34 P C[C@@H]1[C....
2 6FTB - M0E C69 H106 N5 O34 P C[C@@H]1[C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HZS - M0E C69 H106 N5 O34 P C[C@@H]1[C....
2 6FTB - M0E C69 H106 N5 O34 P C[C@@H]1[C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3D3H - M4O C49 H80 N5 O32 P C[C@@H]1[C....
2 3HZS - M0E C69 H106 N5 O34 P C[C@@H]1[C....
3 6FTB - M0E C69 H106 N5 O34 P C[C@@H]1[C....
Polypharmacology
Similar Ligands
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 Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FTB; 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: 6ftb.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6FTB; 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: 2) in the query (biounit: 6ftb.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6FTB; 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: 3) in the query (biounit: 6ftb.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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