Receptor
PDB id Resolution Class Description Source Keywords
4CHX 2.45 Å EC: 4.2.2.- CRYSTAL STRUCTURE OF MLTC IN COMPLEX WITH DISACCHARIDE PENTA DHL89 ESCHERICHIA COLI LYASE
Ref.: STRUCTURE AND CELL WALL CLEAVAGE BY MODULAR LYTIC TRANSGLYCOSYLASE MLTC OF ESCHERICHIA COLI. ACS CHEM.BIOL. V. 9 2058 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG AH0 ALA DGL API DAL DAL C:1;
 Valid;
 none;
 submit data
965.021 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CFP 2.15 Å EC: 4.2.2.- CRYSTAL STRUCTURE OF MLTC IN COMPLEX WITH TETRASACCHARIDE AT RESOLUTION ESCHERICHIA COLI LYASE
Ref.: STRUCTURE AND CELL WALL CLEAVAGE BY MODULAR LYTIC TRANSGLYCOSYLASE MLTC OF ESCHERICHIA COLI. ACS CHEM.BIOL. V. 9 2058 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4CHX - NAG AH0 ALA DGL API DAL DAL n/a n/a
2 4CFP - AMV NAG AMU NAG n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4CHX - NAG AH0 ALA DGL API DAL DAL n/a n/a
2 4CFP - AMV NAG AMU NAG n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4CHX - NAG AH0 ALA DGL API DAL DAL n/a n/a
2 4CFP - AMV NAG AMU NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG AH0 ALA DGL API DAL DAL; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG AH0 ALA DGL API DAL DAL 1 1
2 MLD 0.636986 0.952381
3 ALA NAG AH0 DAL 0.622047 0.873016
4 NAG AH0 0.539683 0.857143
5 ALA FGA API DAL DAL MUB 0.503401 0.857143
6 ALA FGA LYS DAL DAL AMV NAG 0.503226 0.892308
7 AH0 NAG 0.442748 0.828125
8 AH0 ALA FGA LYS 0.439189 0.9375
9 AMU ALA NAG DGL 0.425676 0.857143
10 MUB ALA NAG DGN 0.42 0.873016
11 AMV ALA FGA LYS DAL DAL 0.416667 0.846154
12 MUB ALA NAG ZGL 0.413333 0.873016
13 MUB ALA NAG GLN 0.410596 0.857143
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG AH0 ALA DGL API DAL DAL; 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 : 4CFP; Ligand: AMV NAG AMU NAG; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4cfp.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 6CFC BLG 14.6628
APoc FAQ
Feedback