Receptor
PDB id Resolution Class Description Source Keywords
4ZXF 2.5 Å EC: 3.1.1.23 CRYSTAL STRUCTURE OF A SOLUBLE VARIANT OF MONOGLYCERIDE LIPA SACCHAROMYCES CEREVISIAE IN COMPLEX WITH A SUBSTRATE ANALOG SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) HYDROLASE MONOGLYCERIDE LIPASE MONOACYLGLYCEROL LIPASE COSUBSTRATE ANALOG
Ref.: CRYSTAL STRUCTURE OF THE SACCHAROMYCES CEREVISIAE MONOGLYCERIDE LIPASE YJU3P. BIOCHIM.BIOPHYS.ACTA V.1861 462 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:401;
B:401;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
4S7 C:500;
 Valid;
 Atoms found LESS than expected: % Diff = 0.036;
 submit data
418.574 C21 H45 N3 O3 P CCCCC...
NO3 D:401;
D:402;
 Invalid;
Invalid;
 none;
none;
 submit data
62.005 N O3 [N+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZXF 2.5 Å EC: 3.1.1.23 CRYSTAL STRUCTURE OF A SOLUBLE VARIANT OF MONOGLYCERIDE LIPA SACCHAROMYCES CEREVISIAE IN COMPLEX WITH A SUBSTRATE ANALOG SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) HYDROLASE MONOGLYCERIDE LIPASE MONOACYLGLYCEROL LIPASE COSUBSTRATE ANALOG
Ref.: CRYSTAL STRUCTURE OF THE SACCHAROMYCES CEREVISIAE MONOGLYCERIDE LIPASE YJU3P. BIOCHIM.BIOPHYS.ACTA V.1861 462 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4ZXF - 4S7 C21 H45 N3 O3 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4ZXF - 4S7 C21 H45 N3 O3 P CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4ZXF - 4S7 C21 H45 N3 O3 P CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4S7; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4S7 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4S7; 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 : 4ZXF; Ligand: 4S7; 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: 4zxf.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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