Receptor
PDB id Resolution Class Description Source Keywords
4LZJ 2.4 Å EC: 4.2.1.126 CRYSTAL STRUCTURE OF MURQ FROM H.INFLUENZAE WITH BOUND INHIB HAEMOPHILUS INFLUENZAE ALPHA-BETA-ALPHA SANDWICH MURQ YFEU PROTEIN-LIGAND COMPLENAD(P)/FAD-BINDING ROSSMANN FOLD D-MURAMITOL 6-PHOSPHATE LYASE INHIBITOR COMPLEX
Ref.: STRUCTURE OF MURNAC 6-PHOSPHATE HYDROLASE (MURQ) FR HAEMOPHILUS INFLUENZAE WITH A BOUND INHIBITOR. BIOCHEMISTRY V. 52 9358 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 D:401;
C:401;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
22H D:402;
B:401;
Valid;
Valid;
none;
none;
Ki = 0.23 mM
375.266 C11 H22 N O11 P C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LZJ 2.4 Å EC: 4.2.1.126 CRYSTAL STRUCTURE OF MURQ FROM H.INFLUENZAE WITH BOUND INHIB HAEMOPHILUS INFLUENZAE ALPHA-BETA-ALPHA SANDWICH MURQ YFEU PROTEIN-LIGAND COMPLENAD(P)/FAD-BINDING ROSSMANN FOLD D-MURAMITOL 6-PHOSPHATE LYASE INHIBITOR COMPLEX
Ref.: STRUCTURE OF MURNAC 6-PHOSPHATE HYDROLASE (MURQ) FR HAEMOPHILUS INFLUENZAE WITH A BOUND INHIBITOR. BIOCHEMISTRY V. 52 9358 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4LZJ Ki = 0.23 mM 22H C11 H22 N O11 P 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 1 families.
1 4LZJ Ki = 0.23 mM 22H C11 H22 N O11 P 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 1 families.
1 4LZJ Ki = 0.23 mM 22H C11 H22 N O11 P C[C@H](C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 22H; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 22H 1 1
2 LRY 0.460317 0.877551
3 PA5 0.413793 0.693878
4 R10 0.413793 0.693878
5 6PG 0.4 0.693878
6 LG6 0.4 0.693878
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4LZJ; Ligand: 22H; 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: 4lzj.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4LZJ; Ligand: 22H; 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: 4lzj.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4LZJ; Ligand: 22H; 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: 4lzj.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4LZJ; Ligand: 22H; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4lzj.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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