Receptor
PDB id Resolution Class Description Source Keywords
5AA4 2.4 Å EC: 4.2.2.- CRYSTAL STRUCTURE OF MLTF FROM PSEUDOMONAS AERUGINOSA IN COM CELL-WALL TETRAPEPTIDE PSEUDOMONAS AERUGINOSA LYASE LYTIC TRANSGLYCOSILASE CELL WALL RECYCLING
Ref.: ACTIVATION BY ALLOSTERY IN CELL-WALL REMODELING BY MEMBRANE-BOUND LYTIC TRANSGLYCOSYLASE FROM PSEUDOMO AERUGINOSA. STRUCTURE V. 24 1729 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6X4 A:1458;
Valid;
none;
submit data
489.543 C20 H37 N6 O8 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AA4 2.4 Å EC: 4.2.2.- CRYSTAL STRUCTURE OF MLTF FROM PSEUDOMONAS AERUGINOSA IN COM CELL-WALL TETRAPEPTIDE PSEUDOMONAS AERUGINOSA LYASE LYTIC TRANSGLYCOSILASE CELL WALL RECYCLING
Ref.: ACTIVATION BY ALLOSTERY IN CELL-WALL REMODELING BY MEMBRANE-BOUND LYTIC TRANSGLYCOSYLASE FROM PSEUDOMO AERUGINOSA. STRUCTURE V. 24 1729 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5AA4 - 6X4 C20 H37 N6 O8 C[C@H](C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5AA4 - 6X4 C20 H37 N6 O8 C[C@H](C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5AA4 - 6X4 C20 H37 N6 O8 C[C@H](C(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6X4; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 6X4 1 1
2 J0J 0.481013 0.833333
3 3KS 0.461538 0.833333
4 AMU ALA GMA LYS DAL DAL NH2 0.410714 0.75
5 ALA LYS ALA ALA 0.410256 0.833333
6 MHI 0.402597 0.809524
7 ALA LYS ALA SER GLN ALA ALA 0.402174 0.826087
Similar Ligands (3D)
Ligand no: 1; Ligand: 6X4; 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 : 5AA4; Ligand: 6X4; 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: 5aa4.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
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