Receptor
PDB id Resolution Class Description Source Keywords
3JRX 2.5 Å EC: 6.4.1.2 CRYSTAL STRUCTURE OF THE BC DOMAIN OF ACC2 IN COMPLEX WITH SORAPHEN A HOMO SAPIENS BC DOMAIN SORAPHEN A ALTERNATIVE SPLICING ATP-BINDING BIOTIN FATTY ACID BIOSYNTHESIS LIGASE LIPID SYNTHESIS MANGANESE MEMBRANE METAL-BINDING MULTIFUNCTIONAL ENZYMENUCLEOTIDE-BINDING PHOSPHOPROTEIN POLYMORPHISM
Ref.: MOLECULAR MECHANISM FOR THE REGULATION OF HUMAN ACC2 THROUGH PHOSPHORYLATION BY AMPK. BIOCHEM.BIOPHYS.RES.COMMUN. V. 391 187 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
S1A A:1000;
 Valid;
 none;
 Kd ~ 1 nM
520.655 C29 H44 O8 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3JRX 2.5 Å EC: 6.4.1.2 CRYSTAL STRUCTURE OF THE BC DOMAIN OF ACC2 IN COMPLEX WITH SORAPHEN A HOMO SAPIENS BC DOMAIN SORAPHEN A ALTERNATIVE SPLICING ATP-BINDING BIOTIN FATTY ACID BIOSYNTHESIS LIGASE LIPID SYNTHESIS MANGANESE MEMBRANE METAL-BINDING MULTIFUNCTIONAL ENZYMENUCLEOTIDE-BINDING PHOSPHOPROTEIN POLYMORPHISM
Ref.: MOLECULAR MECHANISM FOR THE REGULATION OF HUMAN ACC2 THROUGH PHOSPHORYLATION BY AMPK. BIOCHEM.BIOPHYS.RES.COMMUN. V. 391 187 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3JRX Kd ~ 1 nM S1A C29 H44 O8 C[C@H]1C=C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3JRX Kd ~ 1 nM S1A C29 H44 O8 C[C@H]1C=C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3JRX Kd ~ 1 nM S1A C29 H44 O8 C[C@H]1C=C....
2 1W96 Kd = 3.9 nM S1A C29 H44 O8 C[C@H]1C=C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: S1A; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 S1A 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: S1A; 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 : 3JRX; Ligand: S1A; 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: 3jrx.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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