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Receptor
PDB id Resolution Class Description Source Keywords
3D3H 2.31 Å EC: 2.4.2.- CRYSTAL STRUCTURE OF A COMPLEX OF THE PEPTIDOGLYCAN GLYCOSYLTRANSFERASE DOMAIN FROM AQUIFEX AEOLICUS AND NERYL A AQUIFEX AEOLICUS PEPTIDOGLYCAN GLYCOSYLTRANSFERASE CELL WALL BIOSYNTHESIS ANTIBIOTICS PENICILLIN-BINDING PROTEIN TRANSGLYCOSYLASE MOENOMYCIN ANTIBIOTIC RESISTANCE CELL SHAPE CELL WALL BIOGENESIS/DEGRADATION HYDROLASE INNER MEMBRANE MEMBRANEMULTIFUNCTIONAL ENZYME PEPTIDOGLYCAN SYNTHESIS SIGNAL-ANCTRANSMEMBRANE TRANSFERASE-ANTIBIOTIC COMPLEX
Ref.: STRUCTURAL ANALYSIS OF THE CONTACTS ANCHORING MOENO PEPTIDOGLYCAN GLYCOSYLTRANSFERASES AND IMPLICATIONS ANTIBIOTIC DESIGN. ACS CHEM.BIOL. V. 3 429 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M4O A:1;
Valid;
none;
submit data
1282.15 C49 H80 N5 O32 P C[C@@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3D3H 2.31 Å EC: 2.4.2.- CRYSTAL STRUCTURE OF A COMPLEX OF THE PEPTIDOGLYCAN GLYCOSYLTRANSFERASE DOMAIN FROM AQUIFEX AEOLICUS AND NERYL A AQUIFEX AEOLICUS PEPTIDOGLYCAN GLYCOSYLTRANSFERASE CELL WALL BIOSYNTHESIS ANTIBIOTICS PENICILLIN-BINDING PROTEIN TRANSGLYCOSYLASE MOENOMYCIN ANTIBIOTIC RESISTANCE CELL SHAPE CELL WALL BIOGENESIS/DEGRADATION HYDROLASE INNER MEMBRANE MEMBRANEMULTIFUNCTIONAL ENZYME PEPTIDOGLYCAN SYNTHESIS SIGNAL-ANCTRANSMEMBRANE TRANSFERASE-ANTIBIOTIC COMPLEX
Ref.: STRUCTURAL ANALYSIS OF THE CONTACTS ANCHORING MOENO PEPTIDOGLYCAN GLYCOSYLTRANSFERASES AND IMPLICATIONS ANTIBIOTIC DESIGN. ACS CHEM.BIOL. V. 3 429 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3D3H - M4O C49 H80 N5 O32 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 8 families.
1 3D3H - M4O C49 H80 N5 O32 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: M4O; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 M4O 1 1
2 M0E 0.743017 0.945946
3 JXD 0.40625 0.943662
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3D3H; Ligand: M4O; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 3d3h.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1V6A TRE 1
2 1NU4 MLA 3.09278
3 4DDY DN6 4
4 5NM7 GLY 5
5 5E5U MLI 7
6 6GR0 F8W 11
Pocket No.: 2; Query (leader) PDB : 3D3H; Ligand: M4O; 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: 3d3h.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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